Methyl 3-cyanopropanoate
TL;DR: Methyl 3-cyanopropanoate (CAS 4107-62-4) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyanopropanoate
Also Known As: Methyl 3-cyanopropanoate, Methyl 3-cyanopropionate, 3-Cyanopropionic Acid Methyl Ester, Methyl cyanopropanoate, Methyl 3-Cyanoropionate
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4107-62-4 |
|---|---|
| SMILES | COC(=O)CCC#N |
| InChIKey | BPSKURPOKFSLHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-cyanopropanoate (CAS 4107-62-4), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: methyl 3-cyanopropanoate.
Chemical Property Profile of Methyl 3-cyanopropanoate
Property Insights of Methyl 3-cyanopropanoate
The XLogP value of -0.3 indicates that Methyl 3-cyanopropanoate 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, Methyl 3-cyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-cyanopropanoate 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 Methyl 3-cyanopropanoate?
The CAS number of Methyl 3-cyanopropanoate is 4107-62-4.
What is the molecular formula of Methyl 3-cyanopropanoate?
The molecular formula of Methyl 3-cyanopropanoate is C5H7NO2.
What is the molecular weight of Methyl 3-cyanopropanoate?
The molecular weight of Methyl 3-cyanopropanoate is 113.05 g/mol.
Where can I buy Methyl 3-cyanopropanoate?
You can request a quote for Methyl 3-cyanopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-cyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-cyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.