But-3-ynyl prop-2-enoate
TL;DR: But-3-ynyl prop-2-enoate (CAS 13861-23-9) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynyl prop-2-enoate
Also Known As: but-3-ynyl prop-2-enoate, Acrylic acid 3-butynyl ester, BUT-3-YN-1-YL PROP-2-ENOATE
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 13861-23-9 |
|---|---|
| SMILES | C=CC(=O)OCCC#C |
| InChIKey | WPGNHXPIVDREIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-3-ynyl prop-2-enoate (CAS 13861-23-9), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: but-3-ynyl prop-2-enoate.
Chemical Property Profile of But-3-ynyl prop-2-enoate
Property Insights of But-3-ynyl prop-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-3-ynyl prop-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, But-3-ynyl prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-3-ynyl prop-2-enoate 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 But-3-ynyl prop-2-enoate?
The CAS number of But-3-ynyl prop-2-enoate is 13861-23-9.
What is the molecular formula of But-3-ynyl prop-2-enoate?
The molecular formula of But-3-ynyl prop-2-enoate is C7H8O2.
What is the molecular weight of But-3-ynyl prop-2-enoate?
The molecular weight of But-3-ynyl prop-2-enoate is 124.05 g/mol.
Where can I buy But-3-ynyl prop-2-enoate?
You can request a quote for But-3-ynyl prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-3-ynyl prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for But-3-ynyl prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.