A3891/0165477
TL;DR: A3891/0165477 (CAS 879474-71-2) is a chemical compound with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: A3891/0165477, 5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(3,5-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione, 5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(3,5-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-4-(3,5-DICHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C14H11Cl2N5S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 4.50419 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.01123 |
| Heavy Atoms | 22 |
| Complexity | 885.8466 |
Chemical Identifiers
| CAS Number | 879474-71-2 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=CC(=C4)Cl)Cl |
Product Overview
A3891/0165477 (CAS 879474-71-2), with molecular formula C14H11Cl2N5S and molecular weight 351.01 g/mol. IUPAC: 3-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,5-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3891/0165477
Property Insights of A3891/0165477
The XLogP value of 4.50419 indicates that A3891/0165477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A3891/0165477. Following Lipinski's Rule of Five, A3891/0165477 has 2 hydrogen bond donor(s) and 3 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 A3891/0165477?
The CAS number of A3891/0165477 is 879474-71-2.
What is the molecular formula of A3891/0165477?
The molecular formula of A3891/0165477 is C14H11Cl2N5S.
What is the molecular weight of A3891/0165477?
The molecular weight of A3891/0165477 is 351.01 g/mol.
Where can I buy A3891/0165477?
You can request a quote for A3891/0165477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3891/0165477?
Yes, KEHONG BIO provides custom synthesis services for A3891/0165477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.