3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile
TL;DR: 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile (CAS 30078-01-4) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Also Known As: 3-Methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile, 3-Methoxy-2-(3,4,5-trimethoxybenzyl)acrylonitrile, 2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile, 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile, 3-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 30078-01-4 |
|---|---|
| SMILES | COC=C(CC1=CC(=C(C(=C1)OC)OC)OC)C#N |
| InChIKey | QJTWJBLWEVAMDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile (CAS 30078-01-4), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 3-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile.
Chemical Property Profile of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile
Property Insights of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile has 0 hydrogen bond donor(s) and 5 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-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile?
The CAS number of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile is 30078-01-4.
What is the molecular formula of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile?
The molecular formula of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile is C14H17NO4.
What is the molecular weight of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile?
The molecular weight of 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile is 263.12 g/mol.
Where can I buy 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile?
You can request a quote for 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile 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-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-I+/--(methoxymethylene)benzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.