1-(Cyanomethyl)-3,5-dimethoxybenzene
TL;DR: 1-(Cyanomethyl)-3,5-dimethoxybenzene (CAS 19179-31-8) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethoxybenzonitrile
Also Known As: 3,5-Dimethoxybenzonitrile, null, BENZONITRILE, 3,5-DIMETHOXY-, 3,5-Dimethoxy benzonitrile, Benzonitrile,5-dimethoxy-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | COC1=CC(=CC(=C1)C#N)OC |
| InChIKey | NVTHWSJNXVDIKR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Cyanomethyl)-3,5-dimethoxybenzene
Property Insights of 1-(Cyanomethyl)-3,5-dimethoxybenzene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Cyanomethyl)-3,5-dimethoxybenzene. With a topological polar surface area (TPSA) of 42.3 Ų, 1-(Cyanomethyl)-3,5-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Cyanomethyl)-3,5-dimethoxybenzene 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
What is the CAS number of 1-(Cyanomethyl)-3,5-dimethoxybenzene?
The CAS number of 1-(Cyanomethyl)-3,5-dimethoxybenzene is 19179-31-8.
What is the molecular formula of 1-(Cyanomethyl)-3,5-dimethoxybenzene?
The molecular formula of 1-(Cyanomethyl)-3,5-dimethoxybenzene is C9H9NO2.
What is the molecular weight of 1-(Cyanomethyl)-3,5-dimethoxybenzene?
The molecular weight of 1-(Cyanomethyl)-3,5-dimethoxybenzene is 163.06332 g/mol.
Where can I buy 1-(Cyanomethyl)-3,5-dimethoxybenzene?
You can request a quote for 1-(Cyanomethyl)-3,5-dimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Cyanomethyl)-3,5-dimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Cyanomethyl)-3,5-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.