3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one
TL;DR: 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one (CAS 906439-35-8) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(2-hydroxy-2-phenylethenyl)-1H-quinoxalin-2-one
Also Known As: 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one, 7-chloro-3-(2-hydroxy-2-phenylethenyl)-1H-quinoxalin-2-one, 7-Chloro-3-(2-oxo-2-phenyl-ethylidene)-3,4-dihydro-1H-quinoxalin-2-one
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 906439-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)Cl)NC2=O)O |
| InChIKey | BTWGDKLJTDFGIW-UHFFFAOYSA-N |
Product Overview
3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one (CAS 906439-35-8), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 7-chloro-3-(2-hydroxy-2-phenylethenyl)-1H-quinoxalin-2-one.
Chemical Property Profile of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one
Property Insights of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one. Following Lipinski's Rule of Five, 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one has 2 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 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one?
The CAS number of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one is 906439-35-8.
What is the molecular formula of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one?
The molecular formula of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one is C16H11ClN2O2.
What is the molecular weight of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one?
The molecular weight of 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one is 298.05 g/mol.
Where can I buy 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one?
You can request a quote for 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenacylidene-7-chloro-1,2,3,4-tetrahydroquinoxaline-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.