Methyl beta-alanate
TL;DR: Methyl beta-alanate (CAS 5396-94-1) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-aminopropanoate
Also Known As: methyl 3-aminopropanoate, Methyl beta-alanate, methyl beta-alaninate, beta-alanine methyl, beta-AlaOMe
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 5396-94-1 |
|---|---|
| SMILES | COC(=O)CCN |
| InChIKey | UZCXPYDBYUEZCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl beta-alanate (CAS 5396-94-1), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: methyl 3-aminopropanoate.
Chemical Property Profile of Methyl beta-alanate
Property Insights of Methyl beta-alanate
The XLogP value of -0.9 indicates that Methyl beta-alanate 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, Methyl beta-alanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl beta-alanate 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 Methyl beta-alanate?
The CAS number of Methyl beta-alanate is 5396-94-1.
What is the molecular formula of Methyl beta-alanate?
The molecular formula of Methyl beta-alanate is C4H9NO2.
What is the molecular weight of Methyl beta-alanate?
The molecular weight of Methyl beta-alanate is 103.06 g/mol.
Where can I buy Methyl beta-alanate?
You can request a quote for Methyl beta-alanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl beta-alanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl beta-alanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.