RefChem:464176
TL;DR: RefChem:464176 (CAS 311325-89-0) is a chemical compound with molecular formula C23H22BrN3OS and molecular weight 467.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: A1279/0058462, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(5-BROMO-2-THIENYL)-7,7-DIMETHYL-1-(4-METHYLPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-Amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C23H22BrN3OS |
|---|---|
| Molecular Weight | 467.07 g/mol |
| LogP | 5.7599 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.0667 |
| Heavy Atoms | 29 |
| Complexity | 1101.888 |
Chemical Identifiers
| CAS Number | 311325-89-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CC(C3)(C)C |
Product Overview
RefChem:464176 (CAS 311325-89-0), with molecular formula C23H22BrN3OS and molecular weight 467.07 g/mol. IUPAC: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464176
Property Insights of RefChem:464176
The XLogP value of 5.7599 indicates that RefChem:464176 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:464176. Following Lipinski's Rule of Five, RefChem:464176 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:464176?
The CAS number of RefChem:464176 is 311325-89-0.
What is the molecular formula of RefChem:464176?
The molecular formula of RefChem:464176 is C23H22BrN3OS.
What is the molecular weight of RefChem:464176?
The molecular weight of RefChem:464176 is 467.07 g/mol.
Where can I buy RefChem:464176?
You can request a quote for RefChem:464176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464176?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.