ChemDiv2_004566
TL;DR: ChemDiv2_004566 (CAS 634174-48-4) is a chemical compound with molecular formula C16H12ClFN4OS and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: ChemDiv2_004566, CBKinase1_003455, CBKinase1_015855, IDI1_003281, 2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
| Molecular Formula | C16H12ClFN4OS |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 3.995 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04044 |
| Heavy Atoms | 24 |
| Complexity | 870.5436 |
Chemical Identifiers
| CAS Number | 634174-48-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3F)Cl |
Product Overview
ChemDiv2_004566 (CAS 634174-48-4), with molecular formula C16H12ClFN4OS and molecular weight 362.04 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of ChemDiv2_004566
Property Insights of ChemDiv2_004566
The XLogP value of 3.995 indicates that ChemDiv2_004566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004566. Following Lipinski's Rule of Five, ChemDiv2_004566 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
Frequently Asked Questions
What is the CAS number of ChemDiv2_004566?
The CAS number of ChemDiv2_004566 is 634174-48-4.
What is the molecular formula of ChemDiv2_004566?
The molecular formula of ChemDiv2_004566 is C16H12ClFN4OS.
What is the molecular weight of ChemDiv2_004566?
The molecular weight of ChemDiv2_004566 is 362.04 g/mol.
Where can I buy ChemDiv2_004566?
You can request a quote for ChemDiv2_004566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004566?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.