2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 586995-13-3) is a chemical compound with molecular formula C16H13ClFN3 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A3868/0164358, 2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-4-(2-CHLORO-6-FLUOROPHENYL)-5,6,7,8-TETRAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C16H13ClFN3 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.87378 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.07822 |
| Heavy Atoms | 21 |
| Complexity | 744.843 |
Chemical Identifiers
| CAS Number | 586995-13-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)F |
Product Overview
2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 586995-13-3), with molecular formula C16H13ClFN3 and molecular weight 301.08 g/mol. IUPAC: 2-amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.87378 indicates that 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 586995-13-3.
What is the molecular formula of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C16H13ClFN3.
What is the molecular weight of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 301.08 g/mol.
Where can I buy 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.