![Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- structure](/static/products/879/879585-61-2.png)
Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-
TL;DR: Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- (CAS 879585-61-2) is a chemical compound with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-, 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid, 4-(3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid, 4-[3-(5-Cyclopropyl-1H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid, 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C15H13N5O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.079 |
| Heavy Atoms | 23 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 879585-61-2 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O |
| InChIKey | CITMGAYWFLLRGW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- (CAS 879585-61-2), with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol. IUPAC: 4-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-
Property Insights of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- 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 Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-?
The CAS number of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- is 879585-61-2.
What is the molecular formula of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-?
The molecular formula of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- is C15H13N5O2S.
What is the molecular weight of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-?
The molecular weight of Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- is 327.08 g/mol.
Where can I buy Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-?
You can request a quote for Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[3-(5-cyclopropyl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.