ChemDiv1_011017
TL;DR: ChemDiv1_011017 (CAS 311331-82-5) is a chemical compound with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011017, 2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1156/0054078, 2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C24H22N4O5 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 3.91678 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.15903 |
| Heavy Atoms | 33 |
| Complexity | 1240.4912 |
Chemical Identifiers
| CAS Number | 311331-82-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)OC |
Product Overview
ChemDiv1_011017 (CAS 311331-82-5), with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol. IUPAC: 2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011017
Property Insights of ChemDiv1_011017
The XLogP value of 3.91678 indicates that ChemDiv1_011017 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 ChemDiv1_011017. Following Lipinski's Rule of Five, ChemDiv1_011017 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 ChemDiv1_011017?
The CAS number of ChemDiv1_011017 is 311331-82-5.
What is the molecular formula of ChemDiv1_011017?
The molecular formula of ChemDiv1_011017 is C24H22N4O5.
What is the molecular weight of ChemDiv1_011017?
The molecular weight of ChemDiv1_011017 is 446.16 g/mol.
Where can I buy ChemDiv1_011017?
You can request a quote for ChemDiv1_011017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011017?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.