A1268/0058010
TL;DR: A1268/0058010 (CAS 311323-68-9) 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-(4-nitrophenyl)-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1268/0058010, 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1-{4-nitrophenyl}-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| 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 | 1138.0454 |
Chemical Identifiers
| CAS Number | 311323-68-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=CS4)C(=O)C1)C |
Product Overview
A1268/0058010 (CAS 311323-68-9), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of A1268/0058010
Property Insights of A1268/0058010
The XLogP value of 4.59718 indicates that A1268/0058010 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 A1268/0058010. Following Lipinski's Rule of Five, A1268/0058010 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 A1268/0058010?
The CAS number of A1268/0058010 is 311323-68-9.
What is the molecular formula of A1268/0058010?
The molecular formula of A1268/0058010 is C22H20N4O3S.
What is the molecular weight of A1268/0058010?
The molecular weight of A1268/0058010 is 420.13 g/mol.
Where can I buy A1268/0058010?
You can request a quote for A1268/0058010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1268/0058010?
Yes, KEHONG BIO provides custom synthesis services for A1268/0058010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.