A3984/0169697
TL;DR: A3984/0169697 (CAS 879477-38-0) is a chemical compound with molecular formula C22H14ClF3N6S and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: A3984/0169697, 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-((2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-{[2-(2-PYRIDYL)-1H-1,3-BENZIMIDAZOL-1-YL]METHYL}-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H14ClF3N6S |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 6.06209 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.06412 |
| Heavy Atoms | 33 |
| Complexity | 1520.9694 |
Chemical Identifiers
| CAS Number | 879477-38-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=C(C=CC(=C4)C(F)(F)F)Cl)C5=CC=CC=N5 |
Product Overview
A3984/0169697 (CAS 879477-38-0), with molecular formula C22H14ClF3N6S and molecular weight 486.06 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3984/0169697
Property Insights of A3984/0169697
The XLogP value of 6.06209 indicates that A3984/0169697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for A3984/0169697. Following Lipinski's Rule of Five, A3984/0169697 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3984/0169697?
The CAS number of A3984/0169697 is 879477-38-0.
What is the molecular formula of A3984/0169697?
The molecular formula of A3984/0169697 is C22H14ClF3N6S.
What is the molecular weight of A3984/0169697?
The molecular weight of A3984/0169697 is 486.06 g/mol.
Where can I buy A3984/0169697?
You can request a quote for A3984/0169697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3984/0169697?
Yes, KEHONG BIO provides custom synthesis services for A3984/0169697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.