ChemDiv2_001526
TL;DR: ChemDiv2_001526 (CAS 447431-83-6) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
Also Known As: ChemDiv2_001526, A2576/0109906, A3396/0144089, 7-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one, 7-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-ol
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.99482 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1280.8162 |
Chemical Identifiers
| CAS Number | 447431-83-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SC2=C(C3=CC4=C(C=C3NC2=O)OCO4)C)C5=CC=CC=C5 |
Product Overview
ChemDiv2_001526 (CAS 447431-83-6), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: 7-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
Chemical Property Profile of ChemDiv2_001526
Property Insights of ChemDiv2_001526
The XLogP value of 3.99482 indicates that ChemDiv2_001526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001526. Following Lipinski's Rule of Five, ChemDiv2_001526 has 1 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 ChemDiv2_001526?
The CAS number of ChemDiv2_001526 is 447431-83-6.
What is the molecular formula of ChemDiv2_001526?
The molecular formula of ChemDiv2_001526 is C21H18N4O3S.
What is the molecular weight of ChemDiv2_001526?
The molecular weight of ChemDiv2_001526 is 406.11 g/mol.
Where can I buy ChemDiv2_001526?
You can request a quote for ChemDiv2_001526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001526?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.