ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile
TL;DR: ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile (CAS 57447-94-6) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile
Also Known As: (C5-H9-N-O2.C5-H8-O2.C3-H3-N)x-, Ethyl Prop-2-enoate; N-(hydroxymethyl)-2-methyl-prop-2-enamide; Prop-2-enenitrile, 2-Propenoic acid, ethyl ester, polymer with N-(hydroxymethyl)-2-methyl-2-propenamide and 2-propenenitrile, ethyl prop-2-enoate; N-(hydroxymethyl)-2-methylprop-2-enamide; prop-2-enenitrile
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 1.05998 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 57447-94-6 |
|---|---|
| SMILES | CCOC(=O)C=C.CC(=C)C(=O)NCO.C=CC#N |
| InChIKey | RHEHXKXALPSCBD-UHFFFAOYSA-N |
Product Overview
ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile (CAS 57447-94-6), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile.
Chemical Property Profile of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile
Property Insights of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile
The XLogP value of 1.05998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile. Following Lipinski's Rule of Five, ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile has 2 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 ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile?
The CAS number of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile is 57447-94-6.
What is the molecular formula of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile?
The molecular formula of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile is C13H20N2O4.
What is the molecular weight of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile?
The molecular weight of ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile is 268.14 g/mol.
Where can I buy ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile?
You can request a quote for ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;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 ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for ethyl prop-2-enoate;N-(hydroxymethyl)-2-methylprop-2-enamide;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.