![2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/5151/515151-68-5.webp)
2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 515151-68-5) is a chemical compound with molecular formula C30H25F3N4O2S and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-4-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-5-OXO-1-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C30H25F3N4O2S |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 6.70608 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.16504 |
| Heavy Atoms | 40 |
| Complexity | 1561.1089 |
Chemical Identifiers
| CAS Number | 515151-68-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)CSC5=CC=CC=N5 |
Product Overview
2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 515151-68-5), with molecular formula C30H25F3N4O2S and molecular weight 562.17 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 6.70608 indicates that 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 7 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-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 515151-68-5.
What is the molecular formula of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is C30H25F3N4O2S.
What is the molecular weight of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 562.17 g/mol.
Where can I buy 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-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-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.