2-Propyn-1-ol, 1-propanoate
TL;DR: 2-Propyn-1-ol, 1-propanoate (CAS 1932-92-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl propanoate
Also Known As: Propargyl propionate, 2-Propynyl propionate, Propargyl proprionate, 2-Propyn-1-ol, propanoate, prop-2-ynyl propanoate
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 1932-92-9 |
|---|---|
| SMILES | CCC(=O)OCC#C |
| InChIKey | BGRYSGVIVVUJHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propyn-1-ol, 1-propanoate (CAS 1932-92-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: prop-2-ynyl propanoate.
Chemical Property Profile of 2-Propyn-1-ol, 1-propanoate
Property Insights of 2-Propyn-1-ol, 1-propanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyn-1-ol, 1-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propyn-1-ol, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-ol, 1-propanoate 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 2-Propyn-1-ol, 1-propanoate?
The CAS number of 2-Propyn-1-ol, 1-propanoate is 1932-92-9.
What is the molecular formula of 2-Propyn-1-ol, 1-propanoate?
The molecular formula of 2-Propyn-1-ol, 1-propanoate is C6H8O2.
What is the molecular weight of 2-Propyn-1-ol, 1-propanoate?
The molecular weight of 2-Propyn-1-ol, 1-propanoate is 112.05 g/mol.
Where can I buy 2-Propyn-1-ol, 1-propanoate?
You can request a quote for 2-Propyn-1-ol, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-ol, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-ol, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.