A1668/0071114
TL;DR: A1668/0071114 (CAS 311790-22-4) is a chemical compound with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1668/0071114, 2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-[4-(methylsulfanyl)phenyl]-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-4-(4-(methylsulfanyl)phenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-4-(4-(methylthio)phenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20N4O3S |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 4.62148 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.1256 |
| Heavy Atoms | 31 |
| Complexity | 1160.8029 |
Chemical Identifiers
| CAS Number | 311790-22-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N |
Product Overview
A1668/0071114 (CAS 311790-22-4), with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol. IUPAC: 2-amino-4-(4-methylsulfanylphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1668/0071114
Property Insights of A1668/0071114
The XLogP value of 4.62148 indicates that A1668/0071114 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 A1668/0071114. Following Lipinski's Rule of Five, A1668/0071114 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 A1668/0071114?
The CAS number of A1668/0071114 is 311790-22-4.
What is the molecular formula of A1668/0071114?
The molecular formula of A1668/0071114 is C23H20N4O3S.
What is the molecular weight of A1668/0071114?
The molecular weight of A1668/0071114 is 432.13 g/mol.
Where can I buy A1668/0071114?
You can request a quote for A1668/0071114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1668/0071114?
Yes, KEHONG BIO provides custom synthesis services for A1668/0071114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.