ChemDiv1_008614
TL;DR: ChemDiv1_008614 (CAS 420096-17-9) is a chemical compound with molecular formula C28H30N2O7 and molecular weight 506.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008614, 2-ethoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-p entahydroquinoline-3-carboxylate, 2-ethoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H30N2O7 |
|---|---|
| Molecular Weight | 506.21 g/mol |
| LogP | 4.5447 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.2053 |
| Heavy Atoms | 37 |
| Complexity | 1246.2968 |
Chemical Identifiers
| CAS Number | 420096-17-9 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)C4=CC=C(C=C4)OC)C |
Product Overview
ChemDiv1_008614 (CAS 420096-17-9), with molecular formula C28H30N2O7 and molecular weight 506.21 g/mol. IUPAC: 2-ethoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008614
Property Insights of ChemDiv1_008614
The XLogP value of 4.5447 indicates that ChemDiv1_008614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008614. Following Lipinski's Rule of Five, ChemDiv1_008614 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_008614?
The CAS number of ChemDiv1_008614 is 420096-17-9.
What is the molecular formula of ChemDiv1_008614?
The molecular formula of ChemDiv1_008614 is C28H30N2O7.
What is the molecular weight of ChemDiv1_008614?
The molecular weight of ChemDiv1_008614 is 506.21 g/mol.
Where can I buy ChemDiv1_008614?
You can request a quote for ChemDiv1_008614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008614?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.