2-Methoxyethyl cyanoacetate
TL;DR: 2-Methoxyethyl cyanoacetate (CAS 10258-54-5) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-cyanoacetate
Also Known As: 2-Methoxyethyl cyanoacetate, 2-methoxyethyl 2-cyanoacetate, 2-meca, 2-methoxyethylcyanacetat, Acetic acid, 2-cyano-, 2-methoxyethyl ester
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 10258-54-5 |
|---|---|
| SMILES | COCCOC(=O)CC#N |
| InChIKey | SGLKIEOMYXTGBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyethyl cyanoacetate (CAS 10258-54-5), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 2-methoxyethyl 2-cyanoacetate.
Chemical Property Profile of 2-Methoxyethyl cyanoacetate
Property Insights of 2-Methoxyethyl cyanoacetate
The XLogP value of -0.1 indicates that 2-Methoxyethyl cyanoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.3 Ų, 2-Methoxyethyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyethyl cyanoacetate has 0 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 2-Methoxyethyl cyanoacetate?
The CAS number of 2-Methoxyethyl cyanoacetate is 10258-54-5.
What is the molecular formula of 2-Methoxyethyl cyanoacetate?
The molecular formula of 2-Methoxyethyl cyanoacetate is C6H9NO3.
What is the molecular weight of 2-Methoxyethyl cyanoacetate?
The molecular weight of 2-Methoxyethyl cyanoacetate is 143.06 g/mol.
Where can I buy 2-Methoxyethyl cyanoacetate?
You can request a quote for 2-Methoxyethyl cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.