Α-氰基丙烯酸甲酯
TL;DR: Α-氰基丙烯酸甲酯 (CAS 137-05-3) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-氰基丙烯酸甲酯
methyl 2-cyanoprop-2-enoate
Also Known As: Mecrylate, METHYL 2-CYANOACRYLATE, Mecrilate, Adhere, Coapt
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 163.0 |
| Melting Point | -40 °C |
| Boiling Point | 117 to 48.9 °C at 1.8 mmHg |
| Density | 1.1044 at 27.2 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 78.9 °C |
| Vapor Pressure | 0.2 mmHg at 25.0 °C |
| Refractive Index | 1.4430 at 25 °C |
Chemical Identifiers
| CAS Number | 137-05-3 |
|---|---|
| SMILES | COC(=O)C(=C)C#N |
| InChIKey | MWCLLHOVUTZFKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-氰基丙烯酸甲酯 (CAS 137-05-3), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: methyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Α-氰基丙烯酸甲酯
Property Insights of Α-氰基丙烯酸甲酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-氰基丙烯酸甲酯. With a topological polar surface area (TPSA) of 50.1 Ų, Α-氰基丙烯酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-氰基丙烯酸甲酯 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 Α-氰基丙烯酸甲酯?
The CAS number of Α-氰基丙烯酸甲酯 is 137-05-3.
What is the molecular formula of Α-氰基丙烯酸甲酯?
The molecular formula of Α-氰基丙烯酸甲酯 is C5H5NO2.
What is the molecular weight of Α-氰基丙烯酸甲酯?
The molecular weight of Α-氰基丙烯酸甲酯 is 111.03 g/mol.
Where can I buy Α-氰基丙烯酸甲酯?
You can request a quote for Α-氰基丙烯酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-氰基丙烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for Α-氰基丙烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.