4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
TL;DR: 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-34-9) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one
Also Known As: 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one, 4-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one, (2E)-4-(2-chloroethyl)-2-(6-oxocyclohexa-2,4-dien-1-ylidene), (2E)-4-(2-chloroethyl)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazinan-5-one, 4-(2-chloro-ethyl)-2-(2-hydroxy-phenyl)-4H-[1,3,4]oxadiazin-5-one
| Molecular Formula | C11H11ClN2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04582 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 53995-34-9 |
|---|---|
| SMILES | C1C(=O)N(N=C(O1)C2=CC=CC=C2O)CCCl |
| InChIKey | CYECAWLYDALKTP-UHFFFAOYSA-N |
Product Overview
4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-34-9), with molecular formula C11H11ClN2O3 and molecular weight 254.05 g/mol. IUPAC: 4-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one.
Chemical Property Profile of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
Property Insights of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one has 1 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 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The CAS number of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is 53995-34-9.
What is the molecular formula of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular formula of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is C11H11ClN2O3.
What is the molecular weight of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular weight of 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is 254.05 g/mol.
Where can I buy 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
You can request a quote for 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.