ChemDiv1_008792
TL;DR: ChemDiv1_008792 (CAS 420096-29-3) is a chemical compound with molecular formula C28H28ClNO6 and molecular weight 509.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008792, 2-ethoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ETHOXYETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-7-(4-CHLOROPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, 2-ethoxyethyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-7-(4-chlorophenyl)-2-methyl -5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C28H28ClNO6 |
|---|---|
| Molecular Weight | 509.16 g/mol |
| LogP | 5.01 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.16052 |
| Heavy Atoms | 36 |
| Complexity | 1249.1863 |
Chemical Identifiers
| CAS Number | 420096-29-3 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C |
Product Overview
ChemDiv1_008792 (CAS 420096-29-3), with molecular formula C28H28ClNO6 and molecular weight 509.16 g/mol. IUPAC: 2-ethoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008792
Property Insights of ChemDiv1_008792
The XLogP value of 5.01 indicates that ChemDiv1_008792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008792. Following Lipinski's Rule of Five, ChemDiv1_008792 has 1 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_008792?
The CAS number of ChemDiv1_008792 is 420096-29-3.
What is the molecular formula of ChemDiv1_008792?
The molecular formula of ChemDiv1_008792 is C28H28ClNO6.
What is the molecular weight of ChemDiv1_008792?
The molecular weight of ChemDiv1_008792 is 509.16 g/mol.
Where can I buy ChemDiv1_008792?
You can request a quote for ChemDiv1_008792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008792?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.