2-Butyne-1,4-diol, 1,4-diacetate
TL;DR: 2-Butyne-1,4-diol, 1,4-diacetate (CAS 1573-17-7) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxybut-2-ynyl acetate
Also Known As: 1,4-Diacetoxy-2-butyne, But-2-yne-1,4-diyl diacetate, Butynediol diacetate, 2-Butyne-1,4-diol diacetate, 4-acetyloxybut-2-ynyl acetate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 1573-17-7 |
|---|---|
| SMILES | CC(=O)OCC#CCOC(=O)C |
| InChIKey | TVIMIQVBDDNCCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyne-1,4-diol, 1,4-diacetate (CAS 1573-17-7), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 4-acetyloxybut-2-ynyl acetate.
Chemical Property Profile of 2-Butyne-1,4-diol, 1,4-diacetate
Property Insights of 2-Butyne-1,4-diol, 1,4-diacetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyne-1,4-diol, 1,4-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butyne-1,4-diol, 1,4-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyne-1,4-diol, 1,4-diacetate has 0 hydrogen bond donor(s) and 4 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-Butyne-1,4-diol, 1,4-diacetate?
The CAS number of 2-Butyne-1,4-diol, 1,4-diacetate is 1573-17-7.
What is the molecular formula of 2-Butyne-1,4-diol, 1,4-diacetate?
The molecular formula of 2-Butyne-1,4-diol, 1,4-diacetate is C8H10O4.
What is the molecular weight of 2-Butyne-1,4-diol, 1,4-diacetate?
The molecular weight of 2-Butyne-1,4-diol, 1,4-diacetate is 170.06 g/mol.
Where can I buy 2-Butyne-1,4-diol, 1,4-diacetate?
You can request a quote for 2-Butyne-1,4-diol, 1,4-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyne-1,4-diol, 1,4-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyne-1,4-diol, 1,4-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.