ChemDiv1_011117
TL;DR: ChemDiv1_011117 (CAS 339336-67-3) is a chemical compound with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_011117, 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(4-ETHOXYPHENYL)-7,7-DIMETHYL-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-252-6
| Molecular Formula | C26H26N4O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 4.93438 |
| Topological Polar Surface Area | 122.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1954 |
| Heavy Atoms | 34 |
| Complexity | 1268.4509 |
Chemical Identifiers
| CAS Number | 339336-67-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
ChemDiv1_011117 (CAS 339336-67-3), with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol. IUPAC: 2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011117
Property Insights of ChemDiv1_011117
The XLogP value of 4.93438 indicates that ChemDiv1_011117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011117. Following Lipinski's Rule of Five, ChemDiv1_011117 has 1 hydrogen bond donor(s) and 7 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_011117?
The CAS number of ChemDiv1_011117 is 339336-67-3.
What is the molecular formula of ChemDiv1_011117?
The molecular formula of ChemDiv1_011117 is C26H26N4O4.
What is the molecular weight of ChemDiv1_011117?
The molecular weight of ChemDiv1_011117 is 458.20 g/mol.
Where can I buy ChemDiv1_011117?
You can request a quote for ChemDiv1_011117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011117?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.