3,4,5-三甲氧基苯乙腈
TL;DR: 3,4,5-三甲氧基苯乙腈 (CAS 13338-63-1) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-三甲氧基苯乙腈
2-(3,4,5-trimethoxyphenyl)acetonitrile
Also Known As: 3,4,5-Trimethoxyphenylacetonitrile, 2-(3,4,5-trimethoxyphenyl)acetonitrile, 3,4,5-Trimethoxybenzyl cyanide, Benzeneacetonitrile, 3,4,5-trimethoxy-, 3,4,5-Trimethoxybenzylnitrile
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 13338-63-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC#N |
| InChIKey | ACFJNTXCEQCDBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三甲氧基苯乙腈 (CAS 13338-63-1), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)acetonitrile.
Chemical Property Profile of 3,4,5-三甲氧基苯乙腈
Property Insights of 3,4,5-三甲氧基苯乙腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-三甲氧基苯乙腈. With a topological polar surface area (TPSA) of 51.5 Ų, 3,4,5-三甲氧基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-三甲氧基苯乙腈 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 3,4,5-三甲氧基苯乙腈?
The CAS number of 3,4,5-三甲氧基苯乙腈 is 13338-63-1.
What is the molecular formula of 3,4,5-三甲氧基苯乙腈?
The molecular formula of 3,4,5-三甲氧基苯乙腈 is C11H13NO3.
What is the molecular weight of 3,4,5-三甲氧基苯乙腈?
The molecular weight of 3,4,5-三甲氧基苯乙腈 is 207.09 g/mol.
Where can I buy 3,4,5-三甲氧基苯乙腈?
You can request a quote for 3,4,5-三甲氧基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-三甲氧基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三甲氧基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.