RefChem:464153
TL;DR: RefChem:464153 (CAS 311773-56-5) is a chemical compound with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1394/0062321, 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-4-(4-ethylphenyl)-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C26H26N4O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 5.09808 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.2005 |
| Heavy Atoms | 33 |
| Complexity | 1249.0432 |
Chemical Identifiers
| CAS Number | 311773-56-5 |
|---|---|
| SMILES | CCC1=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
RefChem:464153 (CAS 311773-56-5), with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol. IUPAC: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464153
Property Insights of RefChem:464153
The XLogP value of 5.09808 indicates that RefChem:464153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464153. Following Lipinski's Rule of Five, RefChem:464153 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 RefChem:464153?
The CAS number of RefChem:464153 is 311773-56-5.
What is the molecular formula of RefChem:464153?
The molecular formula of RefChem:464153 is C26H26N4O3.
What is the molecular weight of RefChem:464153?
The molecular weight of RefChem:464153 is 442.20 g/mol.
Where can I buy RefChem:464153?
You can request a quote for RefChem:464153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464153?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.