ChemDiv1_008746
TL;DR: ChemDiv1_008746 (CAS 5710-13-4) is a chemical compound with molecular formula C29H30BrNO7 and molecular weight 583.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008746, 2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-7-(4-methoxyphenyl)-2- methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ETHOXYETHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-7-(4-METHOXYPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C29H30BrNO7 |
|---|---|
| Molecular Weight | 583.12 g/mol |
| LogP | 5.1277 |
| Topological Polar Surface Area | 92.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 583.12054 |
| Heavy Atoms | 38 |
| Complexity | 1314.9519 |
Chemical Identifiers
| CAS Number | 5710-13-4 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_008746 (CAS 5710-13-4), with molecular formula C29H30BrNO7 and molecular weight 583.12 g/mol. IUPAC: 2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008746
Property Insights of ChemDiv1_008746
The XLogP value of 5.1277 indicates that ChemDiv1_008746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008746. Following Lipinski's Rule of Five, ChemDiv1_008746 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_008746?
The CAS number of ChemDiv1_008746 is 5710-13-4.
What is the molecular formula of ChemDiv1_008746?
The molecular formula of ChemDiv1_008746 is C29H30BrNO7.
What is the molecular weight of ChemDiv1_008746?
The molecular weight of ChemDiv1_008746 is 583.12 g/mol.
Where can I buy ChemDiv1_008746?
You can request a quote for ChemDiv1_008746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008746?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.