4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
TL;DR: 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-36-1) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one
Also Known As: 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one, 4-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one, (2E)-4-benzyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-ox, (2E)-4-benzyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazinan-5-one, 2-(2-Hydroxyphenyl)-4-(phenylmethyl)-4H-1,3,4-oxadiazin-5(6H)-one
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 53995-36-1 |
|---|---|
| SMILES | C1C(=O)N(N=C(O1)C2=CC=CC=C2O)CC3=CC=CC=C3 |
| InChIKey | YAJFDDAFXDWBGE-UHFFFAOYSA-N |
Product Overview
4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-36-1), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 4-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one.
Chemical Property Profile of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
Property Insights of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-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-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one. Following Lipinski's Rule of Five, 4-Benzyl-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-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The CAS number of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is 53995-36-1.
What is the molecular formula of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular formula of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is C16H14N2O3.
What is the molecular weight of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
The molecular weight of 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one is 282.10 g/mol.
Where can I buy 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
You can request a quote for 4-Benzyl-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-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-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.