Methyl 2-cyano-3-hydroxyacrylate
TL;DR: Methyl 2-cyano-3-hydroxyacrylate (CAS 64516-47-8) is a chemical compound with molecular formula C5H5NO3 and molecular weight 127.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-hydroxyprop-2-enoate
Also Known As: Methyl 2-cyano-3-hydroxyacrylate, EINECS 289-331-1, methyl2-cyano-3-hydroxyacrylate, Methyl (Hydroxymethylene)cyanoacetate, methyl 2-cyano-3-hydroxyprop-2-enoate
| Molecular Formula | C5H5NO3 |
|---|---|
| Molecular Weight | 127.03 g/mol |
| LogP | 0.12488 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.02694 |
| Heavy Atoms | 9 |
| Complexity | 177.13235 |
Chemical Identifiers
| CAS Number | 64516-47-8 |
|---|---|
| SMILES | COC(=O)/C(=C/O)/C#N |
Product Overview
Methyl 2-cyano-3-hydroxyacrylate (CAS 64516-47-8), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: methyl (E)-2-cyano-3-hydroxyprop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-hydroxyacrylate
Property Insights of Methyl 2-cyano-3-hydroxyacrylate
The XLogP value of 0.12488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-hydroxyacrylate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-hydroxyacrylate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-hydroxyacrylate has 1 hydrogen bond donor(s) and 4 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 Methyl 2-cyano-3-hydroxyacrylate?
The CAS number of Methyl 2-cyano-3-hydroxyacrylate is 64516-47-8.
What is the molecular formula of Methyl 2-cyano-3-hydroxyacrylate?
The molecular formula of Methyl 2-cyano-3-hydroxyacrylate is C5H5NO3.
What is the molecular weight of Methyl 2-cyano-3-hydroxyacrylate?
The molecular weight of Methyl 2-cyano-3-hydroxyacrylate is 127.03 g/mol.
Where can I buy Methyl 2-cyano-3-hydroxyacrylate?
You can request a quote for Methyl 2-cyano-3-hydroxyacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-hydroxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-hydroxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.