ChemDiv1_003658
TL;DR: ChemDiv1_003658 (CAS 312622-79-0) is a chemical compound with molecular formula C30H35NO5S and molecular weight 521.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003658, 2-(ethylsulfanyl)ethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ethylthioethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7 ,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C30H35NO5S |
|---|---|
| Molecular Weight | 521.22 g/mol |
| LogP | 5.7518 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.2236 |
| Heavy Atoms | 37 |
| Complexity | 1183.4574 |
Chemical Identifiers
| CAS Number | 312622-79-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCSCC)C |
Product Overview
ChemDiv1_003658 (CAS 312622-79-0), with molecular formula C30H35NO5S and molecular weight 521.22 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003658
Property Insights of ChemDiv1_003658
The XLogP value of 5.7518 indicates that ChemDiv1_003658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003658. Following Lipinski's Rule of Five, ChemDiv1_003658 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003658?
The CAS number of ChemDiv1_003658 is 312622-79-0.
What is the molecular formula of ChemDiv1_003658?
The molecular formula of ChemDiv1_003658 is C30H35NO5S.
What is the molecular weight of ChemDiv1_003658?
The molecular weight of ChemDiv1_003658 is 521.22 g/mol.
Where can I buy ChemDiv1_003658?
You can request a quote for ChemDiv1_003658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003658?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.