Methylhydroxymethylene-cyanoacetate
TL;DR: Methylhydroxymethylene-cyanoacetate (CAS 87698-54-2) 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 2-cyano-3-hydroxyprop-2-enoate
Also Known As: methyl2-cyano-3-hydroxyacrylate, methylhydroxymethylene-cyanoacetate, Methyl 2-cyano-3-hydroxy-2-propenoate, methyl 2-cyano-3-hydroxyprop-2-enoate, 2-Propenoic acid,2-cyano-3-hydroxy-, methyl ester
| 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 | 87698-54-2 |
|---|---|
| SMILES | COC(=O)C(=CO)C#N |
Product Overview
Methylhydroxymethylene-cyanoacetate (CAS 87698-54-2), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: methyl 2-cyano-3-hydroxyprop-2-enoate.
Chemical Property Profile of Methylhydroxymethylene-cyanoacetate
Property Insights of Methylhydroxymethylene-cyanoacetate
The XLogP value of 0.12488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylhydroxymethylene-cyanoacetate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylhydroxymethylene-cyanoacetate. Following Lipinski's Rule of Five, Methylhydroxymethylene-cyanoacetate 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 Methylhydroxymethylene-cyanoacetate?
The CAS number of Methylhydroxymethylene-cyanoacetate is 87698-54-2.
What is the molecular formula of Methylhydroxymethylene-cyanoacetate?
The molecular formula of Methylhydroxymethylene-cyanoacetate is C5H5NO3.
What is the molecular weight of Methylhydroxymethylene-cyanoacetate?
The molecular weight of Methylhydroxymethylene-cyanoacetate is 127.03 g/mol.
Where can I buy Methylhydroxymethylene-cyanoacetate?
You can request a quote for Methylhydroxymethylene-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylhydroxymethylene-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methylhydroxymethylene-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.