AF-399/41115012
TL;DR: AF-399/41115012 (CAS 496028-50-3) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone
Also Known As: AF-399/41115012, 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethan-1-one, 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.55262 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 1025.7924 |
Chemical Identifiers
| CAS Number | 496028-50-3 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
AF-399/41115012 (CAS 496028-50-3), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone.
Chemical Property Profile of AF-399/41115012
Property Insights of AF-399/41115012
The XLogP value of 4.55262 indicates that AF-399/41115012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115012. Following Lipinski's Rule of Five, AF-399/41115012 has 0 hydrogen bond donor(s) and 7 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 AF-399/41115012?
The CAS number of AF-399/41115012 is 496028-50-3.
What is the molecular formula of AF-399/41115012?
The molecular formula of AF-399/41115012 is C22H23NO5S.
What is the molecular weight of AF-399/41115012?
The molecular weight of AF-399/41115012 is 413.13 g/mol.
Where can I buy AF-399/41115012?
You can request a quote for AF-399/41115012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41115012?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41115012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.