4-Methoxy-2,6-dimethylbenzonitrile
TL;DR: 4-Methoxy-2,6-dimethylbenzonitrile (CAS 19111-77-4) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2,6-dimethylbenzonitrile
Also Known As: 4-Methoxy-2,6-dimethylbenzonitrile, 2,6-dimethyl-4-methoxybenzonitrile, Benzonitrile, 4-methoxy-2,6-dimethyl-, 4-methoxy-2,6-dimethylbenzoni-trile, 4-Methoxy-2,6-dimethylbenzonitrile #
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 19111-77-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C#N)C)OC |
| InChIKey | AEELMOMIPWVYTA-UHFFFAOYSA-N |
Product Overview
4-Methoxy-2,6-dimethylbenzonitrile (CAS 19111-77-4), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-methoxy-2,6-dimethylbenzonitrile.
Chemical Property Profile of 4-Methoxy-2,6-dimethylbenzonitrile
Property Insights of 4-Methoxy-2,6-dimethylbenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2,6-dimethylbenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Methoxy-2,6-dimethylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2,6-dimethylbenzonitrile 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 4-Methoxy-2,6-dimethylbenzonitrile?
The CAS number of 4-Methoxy-2,6-dimethylbenzonitrile is 19111-77-4.
What is the molecular formula of 4-Methoxy-2,6-dimethylbenzonitrile?
The molecular formula of 4-Methoxy-2,6-dimethylbenzonitrile is C10H11NO.
What is the molecular weight of 4-Methoxy-2,6-dimethylbenzonitrile?
The molecular weight of 4-Methoxy-2,6-dimethylbenzonitrile is 161.08 g/mol.
Where can I buy 4-Methoxy-2,6-dimethylbenzonitrile?
You can request a quote for 4-Methoxy-2,6-dimethylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2,6-dimethylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2,6-dimethylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.