3-Methoxy-2-(methoxymethyl)acrylonitrile
TL;DR: 3-Methoxy-2-(methoxymethyl)acrylonitrile (CAS 39800-76-5) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methoxy-2-(methoxymethyl)prop-2-enenitrile
Also Known As: 3-Methoxy-2-(methoxymethyl)acrylonitrile, EINECS 216-538-6, (E)-3-methoxy-2-(methoxymethyl)prop-2-enenitrile, 8125AA, 2-(methoxymethylene)-3-methoxypropanenitrile
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.68668 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 134.4835 |
Chemical Identifiers
| CAS Number | 39800-76-5 |
|---|---|
| SMILES | COC/C(=C/OC)/C#N |
Product Overview
3-Methoxy-2-(methoxymethyl)acrylonitrile (CAS 39800-76-5), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: (E)-3-methoxy-2-(methoxymethyl)prop-2-enenitrile.
Chemical Property Profile of 3-Methoxy-2-(methoxymethyl)acrylonitrile
Property Insights of 3-Methoxy-2-(methoxymethyl)acrylonitrile
The XLogP value of 0.68668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-(methoxymethyl)acrylonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Methoxy-2-(methoxymethyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-2-(methoxymethyl)acrylonitrile has 0 hydrogen bond donor(s) and 3 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-Methoxy-2-(methoxymethyl)acrylonitrile?
The CAS number of 3-Methoxy-2-(methoxymethyl)acrylonitrile is 39800-76-5.
What is the molecular formula of 3-Methoxy-2-(methoxymethyl)acrylonitrile?
The molecular formula of 3-Methoxy-2-(methoxymethyl)acrylonitrile is C6H9NO2.
What is the molecular weight of 3-Methoxy-2-(methoxymethyl)acrylonitrile?
The molecular weight of 3-Methoxy-2-(methoxymethyl)acrylonitrile is 127.06 g/mol.
Where can I buy 3-Methoxy-2-(methoxymethyl)acrylonitrile?
You can request a quote for 3-Methoxy-2-(methoxymethyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-2-(methoxymethyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-(methoxymethyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.