A1240/0056915
TL;DR: A1240/0056915 (CAS 311320-85-1) is a chemical compound with molecular formula C21H18BrN3OS and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromothiophen-2-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1240/0056915, 2-Amino-4-(4-bromothiophen-2-yl)-5-oxo-1-(m-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-bromo-2-thienyl)-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-bromothien-2-yl)-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-bromothiophen-2-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H18BrN3OS |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 5.1238 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.0354 |
| Heavy Atoms | 27 |
| Complexity | 1043.6913 |
Chemical Identifiers
| CAS Number | 311320-85-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3 |
Product Overview
A1240/0056915 (CAS 311320-85-1), with molecular formula C21H18BrN3OS and molecular weight 439.04 g/mol. IUPAC: 2-amino-4-(4-bromothiophen-2-yl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1240/0056915
Property Insights of A1240/0056915
The XLogP value of 5.1238 indicates that A1240/0056915 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 A1240/0056915. Following Lipinski's Rule of Five, A1240/0056915 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1240/0056915?
The CAS number of A1240/0056915 is 311320-85-1.
What is the molecular formula of A1240/0056915?
The molecular formula of A1240/0056915 is C21H18BrN3OS.
What is the molecular weight of A1240/0056915?
The molecular weight of A1240/0056915 is 439.04 g/mol.
Where can I buy A1240/0056915?
You can request a quote for A1240/0056915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1240/0056915?
Yes, KEHONG BIO provides custom synthesis services for A1240/0056915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.