4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid
TL;DR: 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid (CAS 1212177-10-0) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid, 4-[3-(2-phenylcyclopropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic Acid, 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid, 4-{3-[(1R,2R)-2-phenylcyclopropyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoic acid
Technical Specifications
| Molecular Formula | C18H15N3O2S |
| Molecular Weight | 337.0885 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0885 Da |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
| SMILES | C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 |
| InChIKey | RQYKSGHOCVZJHV-LSDHHAIUSA-N |
Chemical Property Profile of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid
Property Insights of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid?
The CAS number of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid is 1212177-10-0.
What is the molecular formula of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid?
The molecular formula of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid is C18H15N3O2S.
What is the molecular weight of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid?
The molecular weight of 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid is 337.0885 g/mol.
Where can I buy 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid?
You can request a quote for 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-mercapto-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazol-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.