RefChem:462993
TL;DR: RefChem:462993 (CAS 339339-14-9) is a chemical compound with molecular formula C24H19ClF3N3O2 and molecular weight 473.11 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-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1401/0062609, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-4-(4-METHOXYPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C24H19ClF3N3O2 |
|---|---|
| Molecular Weight | 473.11 g/mol |
| LogP | 5.67218 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.1118 |
| Heavy Atoms | 33 |
| Complexity | 1226.9961 |
Chemical Identifiers
| CAS Number | 339339-14-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)C(F)(F)F)Cl)N)C#N |
Product Overview
RefChem:462993 (CAS 339339-14-9), with molecular formula C24H19ClF3N3O2 and molecular weight 473.11 g/mol. IUPAC: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:462993
Property Insights of RefChem:462993
The XLogP value of 5.67218 indicates that RefChem:462993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:462993. Following Lipinski's Rule of Five, RefChem:462993 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 RefChem:462993?
The CAS number of RefChem:462993 is 339339-14-9.
What is the molecular formula of RefChem:462993?
The molecular formula of RefChem:462993 is C24H19ClF3N3O2.
What is the molecular weight of RefChem:462993?
The molecular weight of RefChem:462993 is 473.11 g/mol.
Where can I buy RefChem:462993?
You can request a quote for RefChem:462993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:462993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:462993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.