ChemDiv1_008570
TL;DR: ChemDiv1_008570 (CAS 4311-63-1) is a chemical compound with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008570, 2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8- pentahydroquinoline-3-carboxylate
| Molecular Formula | C27H28N2O7 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 4.1546 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.18964 |
| Heavy Atoms | 36 |
| Complexity | 1247.0234 |
Chemical Identifiers
| CAS Number | 4311-63-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCOC |
Product Overview
ChemDiv1_008570 (CAS 4311-63-1), with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol. IUPAC: 2-methoxyethyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008570
Property Insights of ChemDiv1_008570
The XLogP value of 4.1546 indicates that ChemDiv1_008570 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_008570. Following Lipinski's Rule of Five, ChemDiv1_008570 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008570?
The CAS number of ChemDiv1_008570 is 4311-63-1.
What is the molecular formula of ChemDiv1_008570?
The molecular formula of ChemDiv1_008570 is C27H28N2O7.
What is the molecular weight of ChemDiv1_008570?
The molecular weight of ChemDiv1_008570 is 492.19 g/mol.
Where can I buy ChemDiv1_008570?
You can request a quote for ChemDiv1_008570 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008570?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008570 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.