2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide
TL;DR: 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide (CAS 85108-59-4) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one
Also Known As: Quinocetone, Deciquam Solution, 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide, Benzo[b]thiophen-2-amine, R775
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.10622 |
| Topological Polar Surface Area | 68.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 972.7184 |
Chemical Identifiers
| CAS Number | 85108-59-4 |
|---|---|
| SMILES | CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)/C=C/C3=CC=CC=C3 |
Product Overview
2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide (CAS 85108-59-4), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: (E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide
Property Insights of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide
The XLogP value of 3.10622 indicates that 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide. Following Lipinski's Rule of Five, 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide?
The CAS number of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide is 85108-59-4.
What is the molecular formula of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide?
The molecular formula of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide is C18H14N2O3.
What is the molecular weight of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide?
The molecular weight of 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide is 306.10 g/mol.
Where can I buy 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide?
You can request a quote for 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.