Propylethinylcarbinol
TL;DR: Propylethinylcarbinol (CAS 105-31-7) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-1-yn-3-ol
Also Known As: 1-HEXYN-3-OL, hex-1-yn-3-ol, Propylethinylcarbinol, 1-Hexyne-3-ol, 3-Hydroxy-1-hexyne
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 105-31-7 |
|---|---|
| SMILES | CCCC(C#C)O |
| InChIKey | LTFTWJYRQNTCHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylethinylcarbinol (CAS 105-31-7), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: hex-1-yn-3-ol.
Chemical Property Profile of Propylethinylcarbinol
Property Insights of Propylethinylcarbinol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylethinylcarbinol. With a topological polar surface area (TPSA) of 20.2 Ų, Propylethinylcarbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylethinylcarbinol has 1 hydrogen bond donor(s) and 1 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 Propylethinylcarbinol?
The CAS number of Propylethinylcarbinol is 105-31-7.
What is the molecular formula of Propylethinylcarbinol?
The molecular formula of Propylethinylcarbinol is C6H10O.
What is the molecular weight of Propylethinylcarbinol?
The molecular weight of Propylethinylcarbinol is 98.07 g/mol.
Where can I buy Propylethinylcarbinol?
You can request a quote for Propylethinylcarbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylethinylcarbinol?
Yes, KEHONG BIO provides custom synthesis services for Propylethinylcarbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.