2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 445016-67-1) is a chemical compound with molecular formula C25H24FN3O4 and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C25H24FN3O4 |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 4.15628 |
| Topological Polar Surface Area | 97.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.17508 |
| Heavy Atoms | 33 |
| Complexity | 1211.3932 |
Chemical Identifiers
| CAS Number | 445016-67-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N)OC)OC |
Product Overview
2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 445016-67-1), with molecular formula C25H24FN3O4 and molecular weight 449.18 g/mol. IUPAC: 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 4.15628 indicates that 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 7 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-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 445016-67-1.
What is the molecular formula of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C25H24FN3O4.
What is the molecular weight of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 449.18 g/mol.
Where can I buy 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 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-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.