ChemDiv1_008528
TL;DR: ChemDiv1_008528 (CAS 420095-86-9) is a chemical compound with molecular formula C31H35NO7 and molecular weight 533.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008528, propyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxy-4-[7-(4-methoxyphenyl)-2-methyl-5-oxo-3-(propoxycarbonyl)(4-1,4,6,7,8 -pentahydroquinolyl)]phenyl acetate, propyl 4-(4-acetoxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propyl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C31H35NO7 |
|---|---|
| Molecular Weight | 533.24 g/mol |
| LogP | 5.334 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.24133 |
| Heavy Atoms | 39 |
| Complexity | 1322.9478 |
Chemical Identifiers
| CAS Number | 420095-86-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv1_008528 (CAS 420095-86-9), with molecular formula C31H35NO7 and molecular weight 533.24 g/mol. IUPAC: propyl 4-(4-acetyloxy-3-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008528
Property Insights of ChemDiv1_008528
The XLogP value of 5.334 indicates that ChemDiv1_008528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008528. Following Lipinski's Rule of Five, ChemDiv1_008528 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_008528?
The CAS number of ChemDiv1_008528 is 420095-86-9.
What is the molecular formula of ChemDiv1_008528?
The molecular formula of ChemDiv1_008528 is C31H35NO7.
What is the molecular weight of ChemDiv1_008528?
The molecular weight of ChemDiv1_008528 is 533.24 g/mol.
Where can I buy ChemDiv1_008528?
You can request a quote for ChemDiv1_008528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008528?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.