3-(2-Phenylethyl)-4-methylsydnone
TL;DR: 3-(2-Phenylethyl)-4-methylsydnone (CAS 114886-35-0) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
Also Known As: PEMS, 3-(2-Phenylethyl)-4-methylsydnone, Sydnone, 4-methyl-3-(2-phenylethyl)-, 4-methyl-3-phenethyl-1,2,4-oxadiazol-5-one, 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.1585 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 484.78906 |
Chemical Identifiers
| CAS Number | 114886-35-0 |
|---|---|
| SMILES | CN1C(=NOC1=O)CCC2=CC=CC=C2 |
Product Overview
3-(2-Phenylethyl)-4-methylsydnone (CAS 114886-35-0), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one.
Chemical Property Profile of 3-(2-Phenylethyl)-4-methylsydnone
Property Insights of 3-(2-Phenylethyl)-4-methylsydnone
The XLogP value of 1.1585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Phenylethyl)-4-methylsydnone. With a topological polar surface area (TPSA) of 48.03 Ų, 3-(2-Phenylethyl)-4-methylsydnone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Phenylethyl)-4-methylsydnone 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 3-(2-Phenylethyl)-4-methylsydnone?
The CAS number of 3-(2-Phenylethyl)-4-methylsydnone is 114886-35-0.
What is the molecular formula of 3-(2-Phenylethyl)-4-methylsydnone?
The molecular formula of 3-(2-Phenylethyl)-4-methylsydnone is C11H12N2O2.
What is the molecular weight of 3-(2-Phenylethyl)-4-methylsydnone?
The molecular weight of 3-(2-Phenylethyl)-4-methylsydnone is 204.09 g/mol.
Where can I buy 3-(2-Phenylethyl)-4-methylsydnone?
You can request a quote for 3-(2-Phenylethyl)-4-methylsydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Phenylethyl)-4-methylsydnone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Phenylethyl)-4-methylsydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.