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N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline structure
Fine Chemical

N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline

TL;DR: N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline (CAS 898622-04-3) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N,N-dimethyl-4-(14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline

Also Known As: N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline, N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline

CAS Number
898622-04-3
Molecular Formula
C20H21N5S
Molecular Weight
363.15176 g/mol
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Technical Specifications

Molecular FormulaC20H21N5S
Molecular Weight363.15176 g/mol
XLogP4.7
Topological Polar Surface Area (TPSA)74.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass363.15176 Da
Heavy Atoms26
Complexity508.0
SMILESCC1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)N(C)C
InChIKeyCGWYMAAWOIECFF-UHFFFAOYSA-N

Chemical Property Profile of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline

XLogP
4.7
TPSA (Topological Polar Surface Area)
74.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
26
Complexity
508.0
Exact Mass
363.15176
Monoisotopic Mass
363.15176
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 N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline

The XLogP value of 4.7 indicates that N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline. Following Lipinski's Rule of Five, N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline?

The CAS number of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is 898622-04-3.

What is the molecular formula of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline?

The molecular formula of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is C20H21N5S.

What is the molecular weight of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline?

The molecular weight of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is 363.15176 g/mol.

Where can I buy N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline?

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

Does CoreyChem offer custom synthesis for N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline?

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

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