AF-399/41415182
TL;DR: AF-399/41415182 (CAS 607696-84-4) is a chemical compound with molecular formula C19H16Cl2N2OS and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: AF-399/41415182, 2-((3,4-dichlorobenzyl)thio)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
| Molecular Formula | C19H16Cl2N2OS |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 5.70748 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.03604 |
| Heavy Atoms | 25 |
| Complexity | 903.0276 |
Chemical Identifiers
| CAS Number | 607696-84-4 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)C#N)C(=O)C1)C |
Product Overview
AF-399/41415182 (CAS 607696-84-4), with molecular formula C19H16Cl2N2OS and molecular weight 390.04 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of AF-399/41415182
Property Insights of AF-399/41415182
The XLogP value of 5.70748 indicates that AF-399/41415182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, AF-399/41415182 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41415182 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41415182?
The CAS number of AF-399/41415182 is 607696-84-4.
What is the molecular formula of AF-399/41415182?
The molecular formula of AF-399/41415182 is C19H16Cl2N2OS.
What is the molecular weight of AF-399/41415182?
The molecular weight of AF-399/41415182 is 390.04 g/mol.
Where can I buy AF-399/41415182?
You can request a quote for AF-399/41415182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41415182?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41415182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.