RefChem:464120
TL;DR: RefChem:464120 (CAS 311331-19-8) is a chemical compound with molecular formula C22H17BrClN3O and molecular weight 453.02 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-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1152/0053874, 2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 648-111-9
| Molecular Formula | C22H17BrClN3O |
|---|---|
| Molecular Weight | 453.02 g/mol |
| LogP | 5.40728 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.02435 |
| Heavy Atoms | 28 |
| Complexity | 1048.6846 |
Chemical Identifiers
| CAS Number | 311331-19-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
RefChem:464120 (CAS 311331-19-8), with molecular formula C22H17BrClN3O and molecular weight 453.02 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464120
Property Insights of RefChem:464120
The XLogP value of 5.40728 indicates that RefChem:464120 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:464120. Following Lipinski's Rule of Five, RefChem:464120 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:464120?
The CAS number of RefChem:464120 is 311331-19-8.
What is the molecular formula of RefChem:464120?
The molecular formula of RefChem:464120 is C22H17BrClN3O.
What is the molecular weight of RefChem:464120?
The molecular weight of RefChem:464120 is 453.02 g/mol.
Where can I buy RefChem:464120?
You can request a quote for RefChem:464120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464120?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.