ChemDiv1_008731
TL;DR: ChemDiv1_008731 (CAS 315677-08-8) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_008731, AF-399/15128281, F0863-0016, 1-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.89462 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1201.995 |
Chemical Identifiers
| CAS Number | 315677-08-8 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_008731 (CAS 315677-08-8), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_008731
Property Insights of ChemDiv1_008731
The XLogP value of 3.89462 indicates that ChemDiv1_008731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008731. Following Lipinski's Rule of Five, ChemDiv1_008731 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_008731?
The CAS number of ChemDiv1_008731 is 315677-08-8.
What is the molecular formula of ChemDiv1_008731?
The molecular formula of ChemDiv1_008731 is C20H15N3O3S.
What is the molecular weight of ChemDiv1_008731?
The molecular weight of ChemDiv1_008731 is 377.08 g/mol.
Where can I buy ChemDiv1_008731?
You can request a quote for ChemDiv1_008731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008731?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.