ChemDiv1_008612
TL;DR: ChemDiv1_008612 (CAS 420096-99-7) 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-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008612, 2-ethoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))-2-methyl-5-oxo-7-phen yl-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ETHOXYETHYL 4-(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-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 | 1252.1863 |
Chemical Identifiers
| CAS Number | 420096-99-7 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_008612 (CAS 420096-99-7), with molecular formula C28H28ClNO6 and molecular weight 509.16 g/mol. IUPAC: 2-ethoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008612
Property Insights of ChemDiv1_008612
The XLogP value of 5.01 indicates that ChemDiv1_008612 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_008612. Following Lipinski's Rule of Five, ChemDiv1_008612 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_008612?
The CAS number of ChemDiv1_008612 is 420096-99-7.
What is the molecular formula of ChemDiv1_008612?
The molecular formula of ChemDiv1_008612 is C28H28ClNO6.
What is the molecular weight of ChemDiv1_008612?
The molecular weight of ChemDiv1_008612 is 509.16 g/mol.
Where can I buy ChemDiv1_008612?
You can request a quote for ChemDiv1_008612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008612?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.