ChemDiv1_025417
TL;DR: ChemDiv1_025417 (CAS 311799-26-5) is a chemical compound with molecular formula C21H22FN5OS and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_025417, A1711/0072941, 1-[[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide, 1-{[3-(3-fluorophenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide, 1-((3-(3-fluorophenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperidine-4-carboxamide
| Molecular Formula | C21H22FN5OS |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.36419 |
| Topological Polar Surface Area | 69.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.15292 |
| Heavy Atoms | 29 |
| Complexity | 1070.1755 |
Chemical Identifiers
| CAS Number | 311799-26-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)F)C4=CC=CC=C4 |
Product Overview
ChemDiv1_025417 (CAS 311799-26-5), with molecular formula C21H22FN5OS and molecular weight 411.15 g/mol. IUPAC: 1-[[3-(3-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_025417
Property Insights of ChemDiv1_025417
The XLogP value of 3.36419 indicates that ChemDiv1_025417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025417. Following Lipinski's Rule of Five, ChemDiv1_025417 has 1 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 ChemDiv1_025417?
The CAS number of ChemDiv1_025417 is 311799-26-5.
What is the molecular formula of ChemDiv1_025417?
The molecular formula of ChemDiv1_025417 is C21H22FN5OS.
What is the molecular weight of ChemDiv1_025417?
The molecular weight of ChemDiv1_025417 is 411.15 g/mol.
Where can I buy ChemDiv1_025417?
You can request a quote for ChemDiv1_025417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025417?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.