RefChem:463108
TL;DR: RefChem:463108 (CAS 309281-13-8) is a chemical compound with molecular formula C22H16Br2FN3O and molecular weight 514.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A2096/0088109, 2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carbonitrile
| Molecular Formula | C22H16Br2FN3O |
|---|---|
| Molecular Weight | 514.96 g/mol |
| LogP | 5.65548 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.9644 |
| Heavy Atoms | 29 |
| Complexity | 1115.8676 |
Chemical Identifiers
| CAS Number | 309281-13-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
RefChem:463108 (CAS 309281-13-8), with molecular formula C22H16Br2FN3O and molecular weight 514.96 g/mol. IUPAC: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463108
Property Insights of RefChem:463108
The XLogP value of 5.65548 indicates that RefChem:463108 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:463108. Following Lipinski's Rule of Five, RefChem:463108 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:463108?
The CAS number of RefChem:463108 is 309281-13-8.
What is the molecular formula of RefChem:463108?
The molecular formula of RefChem:463108 is C22H16Br2FN3O.
What is the molecular weight of RefChem:463108?
The molecular weight of RefChem:463108 is 514.96 g/mol.
Where can I buy RefChem:463108?
You can request a quote for RefChem:463108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.