RefChem:463113
TL;DR: RefChem:463113 (CAS 441783-31-9) is a chemical compound with molecular formula C24H24BrN3OS and molecular weight 481.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-bromophenyl)-4-(2,5-dimethyl-3-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 647-804-3, RefChem:463113
| Molecular Formula | C24H24BrN3OS |
|---|---|
| Molecular Weight | 481.08 g/mol |
| LogP | 6.06832 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 481.08234 |
| Heavy Atoms | 30 |
| Complexity | 1148.104 |
Chemical Identifiers
| CAS Number | 441783-31-9 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)Br)N)C#N |
Product Overview
RefChem:463113 (CAS 441783-31-9), with molecular formula C24H24BrN3OS and molecular weight 481.08 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463113
Property Insights of RefChem:463113
The XLogP value of 6.06832 indicates that RefChem:463113 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:463113. Following Lipinski's Rule of Five, RefChem:463113 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:463113?
The CAS number of RefChem:463113 is 441783-31-9.
What is the molecular formula of RefChem:463113?
The molecular formula of RefChem:463113 is C24H24BrN3OS.
What is the molecular weight of RefChem:463113?
The molecular weight of RefChem:463113 is 481.08 g/mol.
Where can I buy RefChem:463113?
You can request a quote for RefChem:463113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.