A1199/0055209
TL;DR: A1199/0055209 (CAS 311315-58-9) is a chemical compound with molecular formula C21H19N3OS and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-methylphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1199/0055209, 2-amino-1-(4-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-5-oxo-4-(thiophen-3-yl)-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-methylphenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-methylphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H19N3OS |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 4.3613 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.12488 |
| Heavy Atoms | 26 |
| Complexity | 961.6852 |
Chemical Identifiers
| CAS Number | 311315-58-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CCC3 |
Product Overview
A1199/0055209 (CAS 311315-58-9), with molecular formula C21H19N3OS and molecular weight 361.12 g/mol. IUPAC: 2-amino-1-(4-methylphenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1199/0055209
Property Insights of A1199/0055209
The XLogP value of 4.3613 indicates that A1199/0055209 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A1199/0055209. Following Lipinski's Rule of Five, A1199/0055209 has 1 hydrogen bond donor(s) and 5 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 A1199/0055209?
The CAS number of A1199/0055209 is 311315-58-9.
What is the molecular formula of A1199/0055209?
The molecular formula of A1199/0055209 is C21H19N3OS.
What is the molecular weight of A1199/0055209?
The molecular weight of A1199/0055209 is 361.12 g/mol.
Where can I buy A1199/0055209?
You can request a quote for A1199/0055209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1199/0055209?
Yes, KEHONG BIO provides custom synthesis services for A1199/0055209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.