RefChem:463118
TL;DR: RefChem:463118 (CAS 339335-27-2) is a chemical compound with molecular formula C23H20BrN3OS and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-bromophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1334/0060258, 2-amino-1-(4-bromophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-1-(4-bromophenyl)-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20BrN3OS |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 5.47578 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.05106 |
| Heavy Atoms | 29 |
| Complexity | 1064.797 |
Chemical Identifiers
| CAS Number | 339335-27-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N |
Product Overview
RefChem:463118 (CAS 339335-27-2), with molecular formula C23H20BrN3OS and molecular weight 465.05 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463118
Property Insights of RefChem:463118
The XLogP value of 5.47578 indicates that RefChem:463118 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:463118. Following Lipinski's Rule of Five, RefChem:463118 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:463118?
The CAS number of RefChem:463118 is 339335-27-2.
What is the molecular formula of RefChem:463118?
The molecular formula of RefChem:463118 is C23H20BrN3OS.
What is the molecular weight of RefChem:463118?
The molecular weight of RefChem:463118 is 465.05 g/mol.
Where can I buy RefChem:463118?
You can request a quote for RefChem:463118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463118?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.