ChemDiv1_002642
TL;DR: ChemDiv1_002642 (CAS 329074-35-3) is a chemical compound with molecular formula C30H33NO6S and molecular weight 535.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002642, 2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(4-acetoxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 4-{3-[(2-ethylthioethyl)oxycarbonyl]-2-methyl-5-oxo-7-phenyl(4-1,4,6,7,8-penta hydroquinolyl)}-2-methoxyphenyl acetate
| Molecular Formula | C30H33NO6S |
|---|---|
| Molecular Weight | 535.20 g/mol |
| LogP | 5.2784 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.2029 |
| Heavy Atoms | 38 |
| Complexity | 1282.9032 |
Chemical Identifiers
| CAS Number | 329074-35-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)CC(C2)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_002642 (CAS 329074-35-3), with molecular formula C30H33NO6S and molecular weight 535.20 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002642
Property Insights of ChemDiv1_002642
The XLogP value of 5.2784 indicates that ChemDiv1_002642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002642. Following Lipinski's Rule of Five, ChemDiv1_002642 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002642?
The CAS number of ChemDiv1_002642 is 329074-35-3.
What is the molecular formula of ChemDiv1_002642?
The molecular formula of ChemDiv1_002642 is C30H33NO6S.
What is the molecular weight of ChemDiv1_002642?
The molecular weight of ChemDiv1_002642 is 535.20 g/mol.
Where can I buy ChemDiv1_002642?
You can request a quote for ChemDiv1_002642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002642?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.