A4133/0176249
TL;DR: A4133/0176249 (CAS 893773-68-7) is a chemical compound with molecular formula C14H10ClN3O2S2 and molecular weight 350.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A4133/0176249, 2-chloro-5-(3-mercapto-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoic acid, 2-chloro-5-[3-(thiophen-2-ylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C14H10ClN3O2S2 |
|---|---|
| Molecular Weight | 350.99 g/mol |
| LogP | 3.93379 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.9903 |
| Heavy Atoms | 22 |
| Complexity | 883.88257 |
Chemical Identifiers
| CAS Number | 893773-68-7 |
|---|---|
| SMILES | C1=CSC(=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
A4133/0176249 (CAS 893773-68-7), with molecular formula C14H10ClN3O2S2 and molecular weight 350.99 g/mol. IUPAC: 2-chloro-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of A4133/0176249
Property Insights of A4133/0176249
The XLogP value of 3.93379 indicates that A4133/0176249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A4133/0176249. Following Lipinski's Rule of Five, A4133/0176249 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4133/0176249?
The CAS number of A4133/0176249 is 893773-68-7.
What is the molecular formula of A4133/0176249?
The molecular formula of A4133/0176249 is C14H10ClN3O2S2.
What is the molecular weight of A4133/0176249?
The molecular weight of A4133/0176249 is 350.99 g/mol.
Where can I buy A4133/0176249?
You can request a quote for A4133/0176249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4133/0176249?
Yes, KEHONG BIO provides custom synthesis services for A4133/0176249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.