2,5-Dimethoxybenzonitrile
TL;DR: 2,5-Dimethoxybenzonitrile (CAS 5312-97-0) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethoxybenzonitrile
Also Known As: 2,5-Dimethoxybenzonitrile, Benzonitrile, 2,5-dimethoxy-, 25-Dimethoxybenzonitrile, 2,5-dimethoxy benzonitrile, 2,5-dimethoxy-benzonitrile
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 5312-97-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C#N |
| InChIKey | HWAMEJIMXIXLIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethoxybenzonitrile (CAS 5312-97-0), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2,5-dimethoxybenzonitrile.
Chemical Property Profile of 2,5-Dimethoxybenzonitrile
Property Insights of 2,5-Dimethoxybenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxybenzonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2,5-Dimethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethoxybenzonitrile 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
Frequently Asked Questions
What is the CAS number of 2,5-Dimethoxybenzonitrile?
The CAS number of 2,5-Dimethoxybenzonitrile is 5312-97-0.
What is the molecular formula of 2,5-Dimethoxybenzonitrile?
The molecular formula of 2,5-Dimethoxybenzonitrile is C9H9NO2.
What is the molecular weight of 2,5-Dimethoxybenzonitrile?
The molecular weight of 2,5-Dimethoxybenzonitrile is 163.06 g/mol.
Where can I buy 2,5-Dimethoxybenzonitrile?
You can request a quote for 2,5-Dimethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.