RefChem:463094
TL;DR: RefChem:463094 (CAS 311332-76-0) is a chemical compound with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-{3-nitrophenyl}-4-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1166/0054328, 2-amino-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H17N5O5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.80778 |
| Topological Polar Surface Area | 156.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.12296 |
| Heavy Atoms | 32 |
| Complexity | 1256.2178 |
Chemical Identifiers
| CAS Number | 311332-76-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1 |
Product Overview
RefChem:463094 (CAS 311332-76-0), with molecular formula C22H17N5O5 and molecular weight 431.12 g/mol. IUPAC: 2-amino-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463094
Property Insights of RefChem:463094
The XLogP value of 3.80778 indicates that RefChem:463094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.4 Ų indicates high polarity, suggesting RefChem:463094 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:463094 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 RefChem:463094?
The CAS number of RefChem:463094 is 311332-76-0.
What is the molecular formula of RefChem:463094?
The molecular formula of RefChem:463094 is C22H17N5O5.
What is the molecular weight of RefChem:463094?
The molecular weight of RefChem:463094 is 431.12 g/mol.
Where can I buy RefChem:463094?
You can request a quote for RefChem:463094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463094?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.