2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid
TL;DR: 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid (CAS 303966-19-0) is a chemical compound with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]acetic acid
Also Known As: 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid, {[3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetic acid, 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C23H24N2O3S |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 4.72938 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.15076 |
| Heavy Atoms | 29 |
| Complexity | 956.0851 |
Chemical Identifiers
| CAS Number | 303966-19-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(C(=N2)SCC(=O)O)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C |
Product Overview
2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid (CAS 303966-19-0), with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid
Property Insights of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid
The XLogP value of 4.72938 indicates that 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 5 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 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid?
The CAS number of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid is 303966-19-0.
What is the molecular formula of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid?
The molecular formula of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid is C23H24N2O3S.
What is the molecular weight of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid?
The molecular weight of 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid is 408.15 g/mol.
Where can I buy 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid?
You can request a quote for 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.