A3933/0167447
TL;DR: A3933/0167447 (CAS 879476-96-7) is a chemical compound with molecular formula C13H8ClN5O3S and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A3933/0167447, 2-chloro-5-(3-mercapto-5-(6-oxo-1,6-dihydropyridazin-3-yl)-4H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-5-[3-(6-hydroxypyridazin-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid, 2-CHLORO-5-[3-(6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]BENZOIC ACID, 2-chloro-5-[3-(6-oxo-1,6-dihydropyridazin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C13H8ClN5O3S |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 2.03179 |
| Topological Polar Surface Area | 116.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.00363 |
| Heavy Atoms | 23 |
| Complexity | 1002.43976 |
Chemical Identifiers
| CAS Number | 879476-96-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)C3=NNC(=O)C=C3)C(=O)O)Cl |
Product Overview
A3933/0167447 (CAS 879476-96-7), with molecular formula C13H8ClN5O3S and molecular weight 349.00 g/mol. IUPAC: 2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of A3933/0167447
Property Insights of A3933/0167447
The XLogP value of 2.03179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3933/0167447. The TPSA of 116.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A3933/0167447. Following Lipinski's Rule of Five, A3933/0167447 has 3 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 A3933/0167447?
The CAS number of A3933/0167447 is 879476-96-7.
What is the molecular formula of A3933/0167447?
The molecular formula of A3933/0167447 is C13H8ClN5O3S.
What is the molecular weight of A3933/0167447?
The molecular weight of A3933/0167447 is 349.00 g/mol.
Where can I buy A3933/0167447?
You can request a quote for A3933/0167447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3933/0167447?
Yes, KEHONG BIO provides custom synthesis services for A3933/0167447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.