2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
TL;DR: 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile (CAS 58599-00-1) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
Also Known As: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile|2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile|2-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)acetonitrile|N-DOCOSENYLSUCCINIC ANHYDRIDE|3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ACETONITRILE|2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]acetonitrile|2-3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylacetonitrile|2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile|823-996-6|RefChem:454913|MFCD06655061|EN300-10517
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.1111 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 493.29675 |
Chemical Identifiers
| CAS Number | 58599-00-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)CC#N |
Product Overview
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile (CAS 58599-00-1), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile.
Chemical Property Profile of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
Property Insights of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
The XLogP value of 2.1111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile 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 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile?
The CAS number of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile is 58599-00-1.
What is the molecular formula of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile?
The molecular formula of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile is C11H9N3O.
What is the molecular weight of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile?
The molecular weight of 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile is 199.07 g/mol.
Where can I buy 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile?
You can request a quote for 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.