![2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/6162/6162-16-9.webp)
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 6162-16-9) is a chemical compound with molecular formula C33H29ClF3N3OS and molecular weight 607.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2,5-dimethyl-3-{[(2-methylphenyl)sulfanyl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C33H29ClF3N3OS |
|---|---|
| Molecular Weight | 607.17 g/mol |
| LogP | 8.88114 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 607.1672 |
| Heavy Atoms | 42 |
| Complexity | 1703.5096 |
Chemical Identifiers
| CAS Number | 6162-16-9 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=CC(=C5)C(F)(F)F)Cl)N)C#N)C |
Product Overview
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 6162-16-9), with molecular formula C33H29ClF3N3OS and molecular weight 607.17 g/mol. IUPAC: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 8.88114 indicates that 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 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 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile 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 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 6162-16-9.
What is the molecular formula of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is C33H29ClF3N3OS.
What is the molecular weight of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 607.17 g/mol.
Where can I buy 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-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-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.