RefChem:464826
TL;DR: RefChem:464826 (CAS 311323-40-7) is a chemical compound with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1267/0057964, 2-AMINO-7,7-DIMETHYL-1-(4-NITROPHENYL)-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(3-pyridyl)-1,4,6,7,8-pentahydr oquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C23H21N5O3 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.93068 |
| Topological Polar Surface Area | 126.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.16443 |
| Heavy Atoms | 31 |
| Complexity | 1173.9427 |
Chemical Identifiers
| CAS Number | 311323-40-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1)C |
Product Overview
RefChem:464826 (CAS 311323-40-7), with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464826
Property Insights of RefChem:464826
The XLogP value of 3.93068 indicates that RefChem:464826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464826. Following Lipinski's Rule of Five, RefChem:464826 has 1 hydrogen bond donor(s) and 7 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:464826?
The CAS number of RefChem:464826 is 311323-40-7.
What is the molecular formula of RefChem:464826?
The molecular formula of RefChem:464826 is C23H21N5O3.
What is the molecular weight of RefChem:464826?
The molecular weight of RefChem:464826 is 415.16 g/mol.
Where can I buy RefChem:464826?
You can request a quote for RefChem:464826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.