A4134/0176301
TL;DR: A4134/0176301 (CAS 1031389-33-9) is a chemical compound with molecular formula C16H16ClN5O2S and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
Also Known As: A4134/0176301, 5-(3-(3-(tert-butyl)-1H-pyrazol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)-2-chlorobenzoic acid, 5-[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid, 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid, 5-{3-[3-(TERT-BUTYL)-1H-PYRAZOL-5-YL]-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL}-2-CHLOROBENZOIC ACID
| Molecular Formula | C16H16ClN5O2S |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 3.96909 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.07132 |
| Heavy Atoms | 25 |
| Complexity | 1012.19446 |
Chemical Identifiers
| CAS Number | 1031389-33-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
A4134/0176301 (CAS 1031389-33-9), with molecular formula C16H16ClN5O2S and molecular weight 377.07 g/mol. IUPAC: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid.
Chemical Property Profile of A4134/0176301
Property Insights of A4134/0176301
The XLogP value of 3.96909 indicates that A4134/0176301 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 A4134/0176301. Following Lipinski's Rule of Five, A4134/0176301 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 A4134/0176301?
The CAS number of A4134/0176301 is 1031389-33-9.
What is the molecular formula of A4134/0176301?
The molecular formula of A4134/0176301 is C16H16ClN5O2S.
What is the molecular weight of A4134/0176301?
The molecular weight of A4134/0176301 is 377.07 g/mol.
Where can I buy A4134/0176301?
You can request a quote for A4134/0176301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4134/0176301?
Yes, KEHONG BIO provides custom synthesis services for A4134/0176301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.