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2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione structure
Fine Chemical

2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione

TL;DR: 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione (CAS 727999-83-9) is a chemical compound with molecular formula C20H15N5O2S and molecular weight 389.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethyl)isoindole-1,3-dione

Also Known As: 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione, 2-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl)-1H-isoindole-1,3(2H)-dione

CAS Number
727999-83-9
Molecular Formula
C20H15N5O2S
Molecular Weight
389.09464 g/mol
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Technical Specifications

Molecular FormulaC20H15N5O2S
Molecular Weight389.09464 g/mol
XLogP3.2
Topological Polar Surface Area (TPSA)109.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds2
Exact Mass389.09464 Da
Heavy Atoms28
Complexity653.0
SMILESC1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)CN5C(=O)C6=CC=CC=C6C5=O
InChIKeyAMQLPLIIDZXVOS-UHFFFAOYSA-N

Chemical Property Profile of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione

XLogP
3.2
TPSA (Topological Polar Surface Area)
109.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
2
Heavy Atoms
28
Complexity
653.0
Exact Mass
389.09464
Monoisotopic Mass
389.09464
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione

The XLogP value of 3.2 indicates that 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione?

The CAS number of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione is 727999-83-9.

What is the molecular formula of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione?

The molecular formula of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione is C20H15N5O2S.

What is the molecular weight of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione?

The molecular weight of 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione is 389.09464 g/mol.

Where can I buy 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione?

You can request a quote for 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione?

Yes, CoreyChem provides custom synthesis services for 2-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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