RefChem:464042
TL;DR: RefChem:464042 (CAS 311315-51-2) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_011224, A1199/0055202, 2-amino-4-(1,3-benzodioxol-5-yl)-1-{4-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 4.26438 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1334.065 |
Chemical Identifiers
| CAS Number | 311315-51-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C |
Product Overview
RefChem:464042 (CAS 311315-51-2), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464042
Property Insights of RefChem:464042
The XLogP value of 4.26438 indicates that RefChem:464042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464042. Following Lipinski's Rule of Five, RefChem:464042 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:464042?
The CAS number of RefChem:464042 is 311315-51-2.
What is the molecular formula of RefChem:464042?
The molecular formula of RefChem:464042 is C25H22N4O5.
What is the molecular weight of RefChem:464042?
The molecular weight of RefChem:464042 is 458.16 g/mol.
Where can I buy RefChem:464042?
You can request a quote for RefChem:464042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.