ChemDiv1_003241
TL;DR: ChemDiv1_003241 (CAS 5713-80-4) is a chemical compound with molecular formula C29H33NO6 and molecular weight 491.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003241, BAS 01404449, propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C29H33NO6 |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | 5.1143 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.23077 |
| Heavy Atoms | 36 |
| Complexity | 1210.7703 |
Chemical Identifiers
| CAS Number | 5713-80-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv1_003241 (CAS 5713-80-4), with molecular formula C29H33NO6 and molecular weight 491.23 g/mol. IUPAC: propyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003241
Property Insights of ChemDiv1_003241
The XLogP value of 5.1143 indicates that ChemDiv1_003241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003241. Following Lipinski's Rule of Five, ChemDiv1_003241 has 2 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_003241?
The CAS number of ChemDiv1_003241 is 5713-80-4.
What is the molecular formula of ChemDiv1_003241?
The molecular formula of ChemDiv1_003241 is C29H33NO6.
What is the molecular weight of ChemDiv1_003241?
The molecular weight of ChemDiv1_003241 is 491.23 g/mol.
Where can I buy ChemDiv1_003241?
You can request a quote for ChemDiv1_003241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.