RefChem:254020
TL;DR: RefChem:254020 (CAS 420098-30-2) is a chemical compound with molecular formula C28H31NO3S and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: 2-(ethylsulfanyl)ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(Ethylthio)ethyl 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-3-quinolinecarboxylate, 2-ethylsulfanylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-(ethylthio)ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-ethylthioethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,6,7,8-pentahyd roquinoline-3-carboxylate
| Molecular Formula | C28H31NO3S |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 5.65292 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.20245 |
| Heavy Atoms | 33 |
| Complexity | 1085.8854 |
Chemical Identifiers
| CAS Number | 420098-30-2 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)C4=CC=CC=C4)C |
Product Overview
RefChem:254020 (CAS 420098-30-2), with molecular formula C28H31NO3S and molecular weight 461.20 g/mol. IUPAC: 2-ethylsulfanylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of RefChem:254020
Property Insights of RefChem:254020
The XLogP value of 5.65292 indicates that RefChem:254020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, RefChem:254020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:254020 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:254020?
The CAS number of RefChem:254020 is 420098-30-2.
What is the molecular formula of RefChem:254020?
The molecular formula of RefChem:254020 is C28H31NO3S.
What is the molecular weight of RefChem:254020?
The molecular weight of RefChem:254020 is 461.20 g/mol.
Where can I buy RefChem:254020?
You can request a quote for RefChem:254020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:254020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:254020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.