RefChem:464822
TL;DR: RefChem:464822 (CAS 311334-37-9) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1179/0054646, 2-amino-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.59718 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1155.2954 |
Chemical Identifiers
| CAS Number | 311334-37-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CSC=C4)C(=O)C1)C |
Product Overview
RefChem:464822 (CAS 311334-37-9), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464822
Property Insights of RefChem:464822
The XLogP value of 4.59718 indicates that RefChem:464822 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:464822. Following Lipinski's Rule of Five, RefChem:464822 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:464822?
The CAS number of RefChem:464822 is 311334-37-9.
What is the molecular formula of RefChem:464822?
The molecular formula of RefChem:464822 is C22H20N4O3S.
What is the molecular weight of RefChem:464822?
The molecular weight of RefChem:464822 is 420.13 g/mol.
Where can I buy RefChem:464822?
You can request a quote for RefChem:464822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.