2-Methylene beta-alanine methyl ester
TL;DR: 2-Methylene beta-alanine methyl ester (CAS 87375-90-4) is a chemical compound with molecular formula COC(=O)C(=C)CN and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(aminomethyl)prop-2-enoate
Also Known As: methyl 2-(aminomethyl)prop-2-enoate, 2-Methylene beta-alanine methyl ester, methyl 2-(aminomethyl)acrylate, 2-methylene-beta-alanine methyl ester, 2-Aminomethylacrylic acid methyl ester
| Molecular Formula | COC(=O)C(=C)CN |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 87375-90-4 |
|---|---|
| SMILES | COC(=O)C(=C)CN |
| InChIKey | FLTSDVDXFCUAKU-UHFFFAOYSA-N |
Product Overview
2-Methylene beta-alanine methyl ester (CAS 87375-90-4), with molecular formula COC(=O)C(=C)CN and molecular weight 115.06 g/mol. IUPAC: methyl 2-(aminomethyl)prop-2-enoate.
Chemical Property Profile of 2-Methylene beta-alanine methyl ester
Property Insights of 2-Methylene beta-alanine methyl ester
The XLogP value of -0.4 indicates that 2-Methylene beta-alanine methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Methylene beta-alanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylene beta-alanine methyl ester has 1 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 2-Methylene beta-alanine methyl ester?
The CAS number of 2-Methylene beta-alanine methyl ester is 87375-90-4.
What is the molecular formula of 2-Methylene beta-alanine methyl ester?
The molecular formula of 2-Methylene beta-alanine methyl ester is COC(=O)C(=C)CN.
What is the molecular weight of 2-Methylene beta-alanine methyl ester?
The molecular weight of 2-Methylene beta-alanine methyl ester is 115.06 g/mol.
Where can I buy 2-Methylene beta-alanine methyl ester?
You can request a quote for 2-Methylene beta-alanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylene beta-alanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylene beta-alanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.