2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 372972-52-6) is a chemical compound with molecular formula C18H13F8N3 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-1-(2,4-difluoro-phenyl)-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile, CID 1716553
| Molecular Formula | C18H13F8N3 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 5.41778 |
| Topological Polar Surface Area | 53.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.09818 |
| Heavy Atoms | 29 |
| Complexity | 935.3236 |
Chemical Identifiers
| CAS Number | 372972-52-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 372972-52-6), with molecular formula C18H13F8N3 and molecular weight 423.10 g/mol. IUPAC: 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.41778 indicates that 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.05 Ų, 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 372972-52-6.
What is the molecular formula of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C18H13F8N3.
What is the molecular weight of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 423.10 g/mol.
Where can I buy 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-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-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(2,4-difluorophenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.