![4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate structure](/static/products/3473/347352-90-3.webp)
4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347352-90-3) is a chemical compound with molecular formula C28H31NO4S and molecular weight 477.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-methylthiophenyl)-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate, (4-METHOXYPHENYL)METHYL 2,7,7-TRIMETHYL-4-[4-(METHYLSULFANYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, 4-methoxybenzyl 2,7,7-trimethyl-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H31NO4S |
|---|---|
| Molecular Weight | 477.20 g/mol |
| LogP | 5.7645 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.1974 |
| Heavy Atoms | 34 |
| Complexity | 1159.8972 |
Chemical Identifiers
| CAS Number | 347352-90-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OCC4=CC=C(C=C4)OC |
Product Overview
4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347352-90-3), with molecular formula C28H31NO4S and molecular weight 477.20 g/mol. IUPAC: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 5.7645 indicates that 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 347352-90-3.
What is the molecular formula of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C28H31NO4S.
What is the molecular weight of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 477.20 g/mol.
Where can I buy 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.