Quinocetone
TL;DR: Quinocetone (CAS 81810-66-4) 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.
1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one
Also Known As: Quinocetone, 2-Cinnamoyl-3-methylquinoxaline 1,4-dioxide, MSK7035-100M, NCI60_006288, SID:172819113
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 81810-66-4 |
|---|---|
| SMILES | CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3 |
| InChIKey | IOKWXGMNRWVQHX-UHFFFAOYSA-N |
Product Overview
Quinocetone (CAS 81810-66-4), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: 1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of Quinocetone
Property Insights of Quinocetone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinocetone. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinocetone. Following Lipinski's Rule of Five, Quinocetone has 0 hydrogen bond donor(s) and 4 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 Quinocetone?
The CAS number of Quinocetone is 81810-66-4.
What is the molecular formula of Quinocetone?
The molecular formula of Quinocetone is C18H14N2O3.
What is the molecular weight of Quinocetone?
The molecular weight of Quinocetone is 306.10 g/mol.
Where can I buy Quinocetone?
You can request a quote for Quinocetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinocetone?
Yes, KEHONG BIO provides custom synthesis services for Quinocetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.