A4133/0176254
TL;DR: A4133/0176254 (CAS 893773-88-1) is a chemical compound with molecular formula C15H10ClN3O4S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A4133/0176254, 2-chloro-5-(3-(2,4-dihydroxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid, 2-chloro-5-[(3Z)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid, 2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C15H10ClN3O4S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 3.35969 |
| Topological Polar Surface Area | 111.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.00806 |
| Heavy Atoms | 24 |
| Complexity | 1012.19403 |
Chemical Identifiers
| CAS Number | 893773-88-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)C3=C(C=C(C=C3)O)O)C(=O)O)Cl |
Product Overview
A4133/0176254 (CAS 893773-88-1), with molecular formula C15H10ClN3O4S and molecular weight 363.01 g/mol. IUPAC: 2-chloro-5-[3-(2,4-dihydroxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of A4133/0176254
Property Insights of A4133/0176254
The XLogP value of 3.35969 indicates that A4133/0176254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.37 Ų falls within the moderate polarity range, balancing permeability and solubility for A4133/0176254. Following Lipinski's Rule of Five, A4133/0176254 has 4 hydrogen bond donor(s) and 5 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 A4133/0176254?
The CAS number of A4133/0176254 is 893773-88-1.
What is the molecular formula of A4133/0176254?
The molecular formula of A4133/0176254 is C15H10ClN3O4S.
What is the molecular weight of A4133/0176254?
The molecular weight of A4133/0176254 is 363.01 g/mol.
Where can I buy A4133/0176254?
You can request a quote for A4133/0176254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4133/0176254?
Yes, KEHONG BIO provides custom synthesis services for A4133/0176254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.