RefChem:464137
TL;DR: RefChem:464137 (CAS 311318-18-0) is a chemical compound with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1232/0056727, 2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H17ClN4O3 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 4.55298 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.0989 |
| Heavy Atoms | 30 |
| Complexity | 1161.6503 |
Chemical Identifiers
| CAS Number | 311318-18-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1 |
Product Overview
RefChem:464137 (CAS 311318-18-0), with molecular formula C22H17ClN4O3 and molecular weight 420.10 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464137
Property Insights of RefChem:464137
The XLogP value of 4.55298 indicates that RefChem:464137 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:464137. Following Lipinski's Rule of Five, RefChem:464137 has 1 hydrogen bond donor(s) and 6 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 RefChem:464137?
The CAS number of RefChem:464137 is 311318-18-0.
What is the molecular formula of RefChem:464137?
The molecular formula of RefChem:464137 is C22H17ClN4O3.
What is the molecular weight of RefChem:464137?
The molecular weight of RefChem:464137 is 420.10 g/mol.
Where can I buy RefChem:464137?
You can request a quote for RefChem:464137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464137?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.