ChemDiv1_002851
TL;DR: ChemDiv1_002851 (CAS 312586-13-3) is a chemical compound with molecular formula C33H33NO7 and molecular weight 555.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002851, BAS 01404209, 2-phenoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C33H33NO7 |
|---|---|
| Molecular Weight | 555.23 g/mol |
| LogP | 5.3932 |
| Topological Polar Surface Area | 103.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.2257 |
| Heavy Atoms | 41 |
| Complexity | 1491.7208 |
Chemical Identifiers
| CAS Number | 312586-13-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)O)OC)C(=O)OCCOC5=CC=CC=C5 |
Product Overview
ChemDiv1_002851 (CAS 312586-13-3), with molecular formula C33H33NO7 and molecular weight 555.23 g/mol. IUPAC: 2-phenoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002851
Property Insights of ChemDiv1_002851
The XLogP value of 5.3932 indicates that ChemDiv1_002851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002851. Following Lipinski's Rule of Five, ChemDiv1_002851 has 2 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_002851?
The CAS number of ChemDiv1_002851 is 312586-13-3.
What is the molecular formula of ChemDiv1_002851?
The molecular formula of ChemDiv1_002851 is C33H33NO7.
What is the molecular weight of ChemDiv1_002851?
The molecular weight of ChemDiv1_002851 is 555.23 g/mol.
Where can I buy ChemDiv1_002851?
You can request a quote for ChemDiv1_002851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.