3-Hexyne-2,5-diol
TL;DR: 3-Hexyne-2,5-diol (CAS 3031-66-1) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-yne-2,5-diol
Also Known As: hex-3-yne-2,5-diol, 3-HEXYNE-2,5-DIOL, 3-Hexyn-2,5-diol, Hexyne-3-diol-2,5, 3-Hexyne-3,5-diol
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 3031-66-1 |
|---|---|
| SMILES | CC(C#CC(C)O)O |
| InChIKey | KDOWHHULNTXTNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexyne-2,5-diol (CAS 3031-66-1), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: hex-3-yne-2,5-diol.
Chemical Property Profile of 3-Hexyne-2,5-diol
Property Insights of 3-Hexyne-2,5-diol
The XLogP value of -0.3 indicates that 3-Hexyne-2,5-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Hexyne-2,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyne-2,5-diol has 2 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 3-Hexyne-2,5-diol?
The CAS number of 3-Hexyne-2,5-diol is 3031-66-1.
What is the molecular formula of 3-Hexyne-2,5-diol?
The molecular formula of 3-Hexyne-2,5-diol is C6H10O2.
What is the molecular weight of 3-Hexyne-2,5-diol?
The molecular weight of 3-Hexyne-2,5-diol is 114.07 g/mol.
Where can I buy 3-Hexyne-2,5-diol?
You can request a quote for 3-Hexyne-2,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexyne-2,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyne-2,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.