2-丁炔-1,4-二醇
TL;DR: 2-丁炔-1,4-二醇 (CAS 110-65-6) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁炔-1,4-二醇
but-2-yne-1,4-diol
Also Known As: 2-Butyne-1,4-diol, But-2-yne-1,4-diol, Butynediol, 2-Butynediol, 1,4-Dihydroxy-2-butyne
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
| Melting Point | 50 °C |
| Boiling Point | 237.8 °C at 760 mmHg |
| Density | 1.07 at 20.0 °C |
| Solubility | Insoluble in benzene; slightly soluble in ethyl ether, choroform; very soluble in ethanol, acetone, methanol |
| Flash Point | 128.3 °C |
| Vapor Pressure | 0.000556 [mmHg] |
| Refractive Index | I1.4804 at 20 °C |
Chemical Identifiers
| CAS Number | 110-65-6 |
|---|---|
| SMILES | C(C#CCO)O |
| InChIKey | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁炔-1,4-二醇 (CAS 110-65-6), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: but-2-yne-1,4-diol.
Chemical Property Profile of 2-丁炔-1,4-二醇
Property Insights of 2-丁炔-1,4-二醇
The XLogP value of -1.1 indicates that 2-丁炔-1,4-二醇 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, 2-丁炔-1,4-二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁炔-1,4-二醇 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 2-丁炔-1,4-二醇?
The CAS number of 2-丁炔-1,4-二醇 is 110-65-6.
What is the molecular formula of 2-丁炔-1,4-二醇?
The molecular formula of 2-丁炔-1,4-二醇 is C4H6O2.
What is the molecular weight of 2-丁炔-1,4-二醇?
The molecular weight of 2-丁炔-1,4-二醇 is 86.04 g/mol.
Where can I buy 2-丁炔-1,4-二醇?
You can request a quote for 2-丁炔-1,4-二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁炔-1,4-二醇?
Yes, KEHONG BIO provides custom synthesis services for 2-丁炔-1,4-二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.