ChemDiv1_002420
TL;DR: ChemDiv1_002420 (CAS 329074-22-8) is a chemical compound with molecular formula C34H33NO7 and molecular weight 567.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-acetyloxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002420, benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxy-4-{7-(4-methoxyphenyl)-2-methyl-5-oxo-3-[benzyloxycarbonyl](4-1,4,6, 7,8-pentahydroquinolyl)}phenyl acetate, benzyl 4-(4-acetoxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(4-acetyloxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C34H33NO7 |
|---|---|
| Molecular Weight | 567.23 g/mol |
| LogP | 5.7341 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.2257 |
| Heavy Atoms | 42 |
| Complexity | 1571.1284 |
Chemical Identifiers
| CAS Number | 329074-22-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC5=CC=CC=C5 |
Product Overview
ChemDiv1_002420 (CAS 329074-22-8), with molecular formula C34H33NO7 and molecular weight 567.23 g/mol. IUPAC: benzyl 4-(4-acetyloxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002420
Property Insights of ChemDiv1_002420
The XLogP value of 5.7341 indicates that ChemDiv1_002420 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_002420. Following Lipinski's Rule of Five, ChemDiv1_002420 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_002420?
The CAS number of ChemDiv1_002420 is 329074-22-8.
What is the molecular formula of ChemDiv1_002420?
The molecular formula of ChemDiv1_002420 is C34H33NO7.
What is the molecular weight of ChemDiv1_002420?
The molecular weight of ChemDiv1_002420 is 567.23 g/mol.
Where can I buy ChemDiv1_002420?
You can request a quote for ChemDiv1_002420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002420?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.