RefChem:463201
TL;DR: RefChem:463201 (CAS 444924-89-4) is a chemical compound with molecular formula C28H22N4O3 and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(4-NITROPHENYL)-5-OXO-4,7-DIPHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-{4-nitrophenyl}-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 648-296-6
| Molecular Formula | C28H22N4O3 |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 5.29328 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1692 |
| Heavy Atoms | 35 |
| Complexity | 1404.0663 |
Chemical Identifiers
| CAS Number | 444924-89-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1N(C(=C(C2C3=CC=CC=C3)C#N)N)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
RefChem:463201 (CAS 444924-89-4), with molecular formula C28H22N4O3 and molecular weight 462.17 g/mol. IUPAC: 2-amino-1-(4-nitrophenyl)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463201
Property Insights of RefChem:463201
The XLogP value of 5.29328 indicates that RefChem:463201 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:463201. Following Lipinski's Rule of Five, RefChem:463201 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:463201?
The CAS number of RefChem:463201 is 444924-89-4.
What is the molecular formula of RefChem:463201?
The molecular formula of RefChem:463201 is C28H22N4O3.
What is the molecular weight of RefChem:463201?
The molecular weight of RefChem:463201 is 462.17 g/mol.
Where can I buy RefChem:463201?
You can request a quote for RefChem:463201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463201?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.