![3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile structure](/static/products/855/85536-85-2.png)
3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
TL;DR: 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile (CAS 85536-85-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Also Known As: EINECS 287-572-7, 3-Amino-2-(3,4,5-trimethoxybenzyl)acrylonitrile, 3-amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile, I+/--(Aminomethylene)-3,4,5-trimethoxybenzenepropanenitrile
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.62108 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 464.49512 |
Chemical Identifiers
| CAS Number | 85536-85-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=CN)C#N |
Product Overview
3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile (CAS 85536-85-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 3-amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile.
Chemical Property Profile of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Property Insights of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
The XLogP value of 1.62108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile has 1 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-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile?
The CAS number of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile is 85536-85-2.
What is the molecular formula of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile?
The molecular formula of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile is C13H16N2O3.
What is the molecular weight of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile?
The molecular weight of 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile is 248.12 g/mol.
Where can I buy 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile?
You can request a quote for 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.