Methyl but-2-ynoate
TL;DR: Methyl but-2-ynoate (CAS 23326-27-4) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl but-2-ynoate
Also Known As: Methyl 2-butynoate, methyl but-2-ynoate, Methyl tetrolate, 2-Butynoic acid, methyl ester, 2-Butynoic Acid Methyl Ester
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 23326-27-4 |
|---|---|
| SMILES | CC#CC(=O)OC |
| InChIKey | UJQCANQILFWSDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl but-2-ynoate (CAS 23326-27-4), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: methyl but-2-ynoate.
Chemical Property Profile of Methyl but-2-ynoate
Property Insights of Methyl but-2-ynoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl but-2-ynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl but-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl but-2-ynoate has 0 hydrogen bond donor(s) and 2 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 but-2-ynoate?
The CAS number of Methyl but-2-ynoate is 23326-27-4.
What is the molecular formula of Methyl but-2-ynoate?
The molecular formula of Methyl but-2-ynoate is C5H6O2.
What is the molecular weight of Methyl but-2-ynoate?
The molecular weight of Methyl but-2-ynoate is 98.04 g/mol.
Where can I buy Methyl but-2-ynoate?
You can request a quote for Methyl but-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl but-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl but-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.