RefChem:463185
TL;DR: RefChem:463185 (CAS 354796-72-8) is a chemical compound with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-methylphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-4-(4-nitrophenyl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-methylphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-838-9, RefChem:463185
| Molecular Formula | C23H20N4O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.208 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.15353 |
| Heavy Atoms | 30 |
| Complexity | 1138.4658 |
Chemical Identifiers
| CAS Number | 354796-72-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CCC3 |
Product Overview
RefChem:463185 (CAS 354796-72-8), with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol. IUPAC: 2-amino-1-(4-methylphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463185
Property Insights of RefChem:463185
The XLogP value of 4.208 indicates that RefChem:463185 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:463185. Following Lipinski's Rule of Five, RefChem:463185 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:463185?
The CAS number of RefChem:463185 is 354796-72-8.
What is the molecular formula of RefChem:463185?
The molecular formula of RefChem:463185 is C23H20N4O3.
What is the molecular weight of RefChem:463185?
The molecular weight of RefChem:463185 is 400.15 g/mol.
Where can I buy RefChem:463185?
You can request a quote for RefChem:463185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.