ChemDiv1_004692
TL;DR: ChemDiv1_004692 (CAS 325694-32-4) is a chemical compound with molecular formula C24H18FN3O3S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: ChemDiv1_004692, AF-399/13734008, 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one, F0733-0057, 2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C24H18FN3O3S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 4.8939 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1053 |
| Heavy Atoms | 32 |
| Complexity | 1245.1013 |
Chemical Identifiers
| CAS Number | 325694-32-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_004692 (CAS 325694-32-4), with molecular formula C24H18FN3O3S and molecular weight 447.11 g/mol. IUPAC: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of ChemDiv1_004692
Property Insights of ChemDiv1_004692
The XLogP value of 4.8939 indicates that ChemDiv1_004692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004692. Following Lipinski's Rule of Five, ChemDiv1_004692 has 0 hydrogen bond donor(s) and 6 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_004692?
The CAS number of ChemDiv1_004692 is 325694-32-4.
What is the molecular formula of ChemDiv1_004692?
The molecular formula of ChemDiv1_004692 is C24H18FN3O3S.
What is the molecular weight of ChemDiv1_004692?
The molecular weight of ChemDiv1_004692 is 447.11 g/mol.
Where can I buy ChemDiv1_004692?
You can request a quote for ChemDiv1_004692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004692?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.