2,5-Dimethyl-4-methoxyphenylacetonitrile
TL;DR: 2,5-Dimethyl-4-methoxyphenylacetonitrile (CAS 69563-87-7) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-2,5-dimethylphenyl)acetonitrile
Also Known As: 2,5-Dimethyl-4-methoxyphenylacetonitrile, 2-(4-methoxy-2,5-dimethylphenyl)acetonitrile, 2-Fluoro-benzenesulfonic acid, 2,4-dimethylbenzenesulfonohydrazide, (4-Methoxy-2,5-dimethylphenyl)acetonitrile
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 69563-87-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C)CC#N |
| InChIKey | XPKNQRIEXCGMHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-4-methoxyphenylacetonitrile (CAS 69563-87-7), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-(4-methoxy-2,5-dimethylphenyl)acetonitrile.
Chemical Property Profile of 2,5-Dimethyl-4-methoxyphenylacetonitrile
Property Insights of 2,5-Dimethyl-4-methoxyphenylacetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-4-methoxyphenylacetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2,5-Dimethyl-4-methoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-4-methoxyphenylacetonitrile has 0 hydrogen bond donor(s) and 2 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 2,5-Dimethyl-4-methoxyphenylacetonitrile?
The CAS number of 2,5-Dimethyl-4-methoxyphenylacetonitrile is 69563-87-7.
What is the molecular formula of 2,5-Dimethyl-4-methoxyphenylacetonitrile?
The molecular formula of 2,5-Dimethyl-4-methoxyphenylacetonitrile is C11H13NO.
What is the molecular weight of 2,5-Dimethyl-4-methoxyphenylacetonitrile?
The molecular weight of 2,5-Dimethyl-4-methoxyphenylacetonitrile is 175.10 g/mol.
Where can I buy 2,5-Dimethyl-4-methoxyphenylacetonitrile?
You can request a quote for 2,5-Dimethyl-4-methoxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-4-methoxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-4-methoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.