氰乙酸甲酯
TL;DR: 氰乙酸甲酯 (CAS 105-34-0) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰乙酸甲酯
methyl 2-cyanoacetate
Also Known As: METHYL CYANOACETATE, Methyl 2-cyanoacetate, Methyl cyanoethanoate, Cyanoacetic acid methyl ester, MethylCyanoacetate
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
| Vapor Pressure | 0.13 [mmHg] |
Chemical Identifiers
| CAS Number | 105-34-0 |
|---|---|
| SMILES | COC(=O)CC#N |
| InChIKey | ANGDWNBGPBMQHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰乙酸甲酯 (CAS 105-34-0), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: methyl 2-cyanoacetate.
Chemical Property Profile of 氰乙酸甲酯
Property Insights of 氰乙酸甲酯
The XLogP value of -0.5 indicates that 氰乙酸甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, 氰乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰乙酸甲酯 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 氰乙酸甲酯?
The CAS number of 氰乙酸甲酯 is 105-34-0.
What is the molecular formula of 氰乙酸甲酯?
The molecular formula of 氰乙酸甲酯 is C4H5NO2.
What is the molecular weight of 氰乙酸甲酯?
The molecular weight of 氰乙酸甲酯 is 99.03 g/mol.
Where can I buy 氰乙酸甲酯?
You can request a quote for 氰乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 氰乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.