ChemDiv1_003116
TL;DR: ChemDiv1_003116 (CAS 312587-29-4) is a chemical compound with molecular formula C28H30ClNO5 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003116, BAS 01404320, 2-ethoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ethoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C28H30ClNO5 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 5.2899 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.18124 |
| Heavy Atoms | 35 |
| Complexity | 1168.125 |
Chemical Identifiers
| CAS Number | 312587-29-4 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C |
Product Overview
ChemDiv1_003116 (CAS 312587-29-4), with molecular formula C28H30ClNO5 and molecular weight 495.18 g/mol. IUPAC: 2-ethoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003116
Property Insights of ChemDiv1_003116
The XLogP value of 5.2899 indicates that ChemDiv1_003116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003116. Following Lipinski's Rule of Five, ChemDiv1_003116 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003116?
The CAS number of ChemDiv1_003116 is 312587-29-4.
What is the molecular formula of ChemDiv1_003116?
The molecular formula of ChemDiv1_003116 is C28H30ClNO5.
What is the molecular weight of ChemDiv1_003116?
The molecular weight of ChemDiv1_003116 is 495.18 g/mol.
Where can I buy ChemDiv1_003116?
You can request a quote for ChemDiv1_003116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003116?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.