(3,5-Dimethylphenyl)acetonitrile
TL;DR: (3,5-Dimethylphenyl)acetonitrile (CAS 25456-76-2) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylphenyl)acetonitrile
Also Known As: 3,5-Dimethylphenylacetonitrile, 2-(3,5-dimethylphenyl)acetonitrile, (3,5-Dimethylphenyl)acetonitrile, 35-Dimethylphenylacetonitrile, Benzeneacetonitrile, 3,5-dimethyl-
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 25456-76-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CC#N)C |
| InChIKey | LMUKNQSVBFEUKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,5-Dimethylphenyl)acetonitrile (CAS 25456-76-2), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 2-(3,5-dimethylphenyl)acetonitrile.
Chemical Property Profile of (3,5-Dimethylphenyl)acetonitrile
Property Insights of (3,5-Dimethylphenyl)acetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylphenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (3,5-Dimethylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethylphenyl)acetonitrile has 0 hydrogen bond donor(s) and 1 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 (3,5-Dimethylphenyl)acetonitrile?
The CAS number of (3,5-Dimethylphenyl)acetonitrile is 25456-76-2.
What is the molecular formula of (3,5-Dimethylphenyl)acetonitrile?
The molecular formula of (3,5-Dimethylphenyl)acetonitrile is C10H11N.
What is the molecular weight of (3,5-Dimethylphenyl)acetonitrile?
The molecular weight of (3,5-Dimethylphenyl)acetonitrile is 145.09 g/mol.
Where can I buy (3,5-Dimethylphenyl)acetonitrile?
You can request a quote for (3,5-Dimethylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.