Diacetylene glycol
TL;DR: Diacetylene glycol (CAS 3031-68-3) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-2,4-diyne-1,6-diol
Also Known As: 2,4-Hexadiyne-1,6-diol, Hexa-2,4-diyne-1,6-diol, Diacetylene glycol, 2,4-Hexadiynediol, 1,6-Dihydroxy-2,4-hexadiyne
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 3031-68-3 |
|---|---|
| SMILES | C(C#CC#CCO)O |
| InChIKey | JXMQYKBAZRDVTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacetylene glycol (CAS 3031-68-3), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: hexa-2,4-diyne-1,6-diol.
Chemical Property Profile of Diacetylene glycol
Property Insights of Diacetylene glycol
The XLogP value of -0.7 indicates that Diacetylene glycol 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, Diacetylene glycol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diacetylene glycol 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 Diacetylene glycol?
The CAS number of Diacetylene glycol is 3031-68-3.
What is the molecular formula of Diacetylene glycol?
The molecular formula of Diacetylene glycol is C6H6O2.
What is the molecular weight of Diacetylene glycol?
The molecular weight of Diacetylene glycol is 110.04 g/mol.
Where can I buy Diacetylene glycol?
You can request a quote for Diacetylene glycol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylene glycol?
Yes, KEHONG BIO provides custom synthesis services for Diacetylene glycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.