A4133/0176255
TL;DR: A4133/0176255 (CAS 1082541-61-4) is a chemical compound with molecular formula C15H12ClN5O2S and molecular weight 361.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A4133/0176255, 2-chloro-5-(3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-5-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid, 2-chloro-5-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid, 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C15H12ClN5O2S |
|---|---|
| Molecular Weight | 361.04 g/mol |
| LogP | 3.54899 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.04 |
| Heavy Atoms | 24 |
| Complexity | 1001.46075 |
Chemical Identifiers
| CAS Number | 1082541-61-4 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)O |
Product Overview
A4133/0176255 (CAS 1082541-61-4), with molecular formula C15H12ClN5O2S and molecular weight 361.04 g/mol. IUPAC: 2-chloro-5-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of A4133/0176255
Property Insights of A4133/0176255
The XLogP value of 3.54899 indicates that A4133/0176255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A4133/0176255. Following Lipinski's Rule of Five, A4133/0176255 has 3 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 A4133/0176255?
The CAS number of A4133/0176255 is 1082541-61-4.
What is the molecular formula of A4133/0176255?
The molecular formula of A4133/0176255 is C15H12ClN5O2S.
What is the molecular weight of A4133/0176255?
The molecular weight of A4133/0176255 is 361.04 g/mol.
Where can I buy A4133/0176255?
You can request a quote for A4133/0176255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4133/0176255?
Yes, KEHONG BIO provides custom synthesis services for A4133/0176255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.