BAS 00667339
TL;DR: BAS 00667339 (CAS 121612-33-7) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.07834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N,4-N-dimethyl-1-N-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
Also Known As: BAS 00667339, AB00080255-01, 4-N,4-N-dimethyl-1-N-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine, N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine, 4-{[4-(dimethylamino)phenyl]amino}-1-hydroxy-3-nitro-2,5-dihydrothiophen-1-one
Technical Specifications
| Molecular Formula | C12H15N3O4S |
| Molecular Weight | 297.07834 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.07834 Da |
| Heavy Atoms | 20 |
| Complexity | 508.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-] |
| InChIKey | OHWVTHZEJBUEKL-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00667339
Property Insights of BAS 00667339
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00667339. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00667339. Following Lipinski's Rule of Five, BAS 00667339 has 1 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 BAS 00667339?
The CAS number of BAS 00667339 is 121612-33-7.
What is the molecular formula of BAS 00667339?
The molecular formula of BAS 00667339 is C12H15N3O4S.
What is the molecular weight of BAS 00667339?
The molecular weight of BAS 00667339 is 297.07834 g/mol.
Where can I buy BAS 00667339?
You can request a quote for BAS 00667339 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00667339?
Yes, CoreyChem provides custom synthesis services for BAS 00667339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.