3-Methoxyacrylonitrile
TL;DR: 3-Methoxyacrylonitrile (CAS 69194-03-2) is a chemical compound with molecular formula C4H5NO and molecular weight 83.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methoxyprop-2-enenitrile
Also Known As: 3-Methoxyacrylonitrile, dopamine, trans-3-methoxyacrylonitrile, 3-Methoxy-2-Propenenitrile, (E)-3-methoxyprop-2-enenitrile
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 0.67008 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.03712 |
| Heavy Atoms | 6 |
| Complexity | 80.0391 |
Chemical Identifiers
| CAS Number | 69194-03-2 |
|---|---|
| SMILES | CO/C=C/C#N |
Product Overview
3-Methoxyacrylonitrile (CAS 69194-03-2), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: (E)-3-methoxyprop-2-enenitrile.
Chemical Property Profile of 3-Methoxyacrylonitrile
Property Insights of 3-Methoxyacrylonitrile
The XLogP value of 0.67008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyacrylonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Methoxyacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyacrylonitrile has 0 hydrogen bond donor(s) and 2 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-Methoxyacrylonitrile?
The CAS number of 3-Methoxyacrylonitrile is 69194-03-2.
What is the molecular formula of 3-Methoxyacrylonitrile?
The molecular formula of 3-Methoxyacrylonitrile is C4H5NO.
What is the molecular weight of 3-Methoxyacrylonitrile?
The molecular weight of 3-Methoxyacrylonitrile is 83.04 g/mol.
Where can I buy 3-Methoxyacrylonitrile?
You can request a quote for 3-Methoxyacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.