RefChem:464122
TL;DR: RefChem:464122 (CAS 339339-31-0) is a chemical compound with molecular formula C22H17BrFN3O and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromophenyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-AMINO-4-(4-BROMOPHENYL)-1-(4-FLUOROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(4-bromophenyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-4-(4-bromophenyl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 648-114-5, RefChem:464122
| Molecular Formula | C22H17BrFN3O |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 4.89298 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.0539 |
| Heavy Atoms | 28 |
| Complexity | 1048.6846 |
Chemical Identifiers
| CAS Number | 339339-31-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
RefChem:464122 (CAS 339339-31-0), with molecular formula C22H17BrFN3O and molecular weight 437.05 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464122
Property Insights of RefChem:464122
The XLogP value of 4.89298 indicates that RefChem:464122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464122. Following Lipinski's Rule of Five, RefChem:464122 has 1 hydrogen bond donor(s) and 4 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 RefChem:464122?
The CAS number of RefChem:464122 is 339339-31-0.
What is the molecular formula of RefChem:464122?
The molecular formula of RefChem:464122 is C22H17BrFN3O.
What is the molecular weight of RefChem:464122?
The molecular weight of RefChem:464122 is 437.05 g/mol.
Where can I buy RefChem:464122?
You can request a quote for RefChem:464122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464122?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.