RefChem:462996
TL;DR: RefChem:462996 (CAS 476483-58-6) is a chemical compound with molecular formula C28H27ClF3N3O4 and molecular weight 561.16 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]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: SALOR-INT L220647-1EA, 2-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-1-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-7,7-DIMETHYL-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C28H27ClF3N3O4 |
|---|---|
| Molecular Weight | 561.16 g/mol |
| LogP | 6.32548 |
| Topological Polar Surface Area | 97.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 561.16425 |
| Heavy Atoms | 39 |
| Complexity | 1431.9193 |
Chemical Identifiers
| CAS Number | 476483-58-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
RefChem:462996 (CAS 476483-58-6), with molecular formula C28H27ClF3N3O4 and molecular weight 561.16 g/mol. IUPAC: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:462996
Property Insights of RefChem:462996
The XLogP value of 6.32548 indicates that RefChem:462996 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 RefChem:462996. Following Lipinski's Rule of Five, RefChem:462996 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 RefChem:462996?
The CAS number of RefChem:462996 is 476483-58-6.
What is the molecular formula of RefChem:462996?
The molecular formula of RefChem:462996 is C28H27ClF3N3O4.
What is the molecular weight of RefChem:462996?
The molecular weight of RefChem:462996 is 561.16 g/mol.
Where can I buy RefChem:462996?
You can request a quote for RefChem:462996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:462996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:462996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.