3,4,5-Trimethoxybenzonitrile
TL;DR: 3,4,5-Trimethoxybenzonitrile (CAS 1885-35-4) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxybenzonitrile
Also Known As: 3,4,5-Trimethoxybenzonitrile, 2-Cyanoaniline, BENZONITRILE, 3,4,5-TRIMETHOXY-, 3,4,5-Trimethoxybenzenecarbonitrile, 2,4,5-Trimethoxybenzonitrile
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1885-35-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C#N |
| InChIKey | OSBQUSPVORCDCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxybenzonitrile (CAS 1885-35-4), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3,4,5-trimethoxybenzonitrile.
Chemical Property Profile of 3,4,5-Trimethoxybenzonitrile
Property Insights of 3,4,5-Trimethoxybenzonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxybenzonitrile. With a topological polar surface area (TPSA) of 51.5 Ų, 3,4,5-Trimethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethoxybenzonitrile has 0 hydrogen bond donor(s) and 4 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 3,4,5-Trimethoxybenzonitrile?
The CAS number of 3,4,5-Trimethoxybenzonitrile is 1885-35-4.
What is the molecular formula of 3,4,5-Trimethoxybenzonitrile?
The molecular formula of 3,4,5-Trimethoxybenzonitrile is C10H11NO3.
What is the molecular weight of 3,4,5-Trimethoxybenzonitrile?
The molecular weight of 3,4,5-Trimethoxybenzonitrile is 193.07 g/mol.
Where can I buy 3,4,5-Trimethoxybenzonitrile?
You can request a quote for 3,4,5-Trimethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.