Benzyl propiolate
TL;DR: Benzyl propiolate (CAS 14447-01-9) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl prop-2-ynoate
Also Known As: Benzyl propiolate, benzyl prop-2-ynoate, Benzylpropiolate, 2-Propynoic acid, phenylmethyl ester, propynoic acid benzyl ester
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 14447-01-9 |
|---|---|
| SMILES | C#CC(=O)OCC1=CC=CC=C1 |
| InChIKey | KCSLTHXLCZSZLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl propiolate (CAS 14447-01-9), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: benzyl prop-2-ynoate.
Chemical Property Profile of Benzyl propiolate
Property Insights of Benzyl propiolate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl propiolate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl propiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl propiolate 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 Benzyl propiolate?
The CAS number of Benzyl propiolate is 14447-01-9.
What is the molecular formula of Benzyl propiolate?
The molecular formula of Benzyl propiolate is C10H8O2.
What is the molecular weight of Benzyl propiolate?
The molecular weight of Benzyl propiolate is 160.05 g/mol.
Where can I buy Benzyl propiolate?
You can request a quote for Benzyl propiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl propiolate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl propiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.