2-Butene-1,4-diol diacetate
TL;DR: 2-Butene-1,4-diol diacetate (CAS 1576-98-3) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxybut-2-enyl acetate
Also Known As: But-2-ene-1,4-diyl diacetate, cis-1,4-Diacetoxy-2-butene, 4-cyanobenzylbromide, 1,4-Diacetoxy-2-butene, 1,4-diacetoxy-2 -butene
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1576-98-3 |
|---|---|
| SMILES | CC(=O)OCC=CCOC(=O)C |
| InChIKey | VZUAUHWZIKOMFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butene-1,4-diol diacetate (CAS 1576-98-3), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 4-acetyloxybut-2-enyl acetate.
Chemical Property Profile of 2-Butene-1,4-diol diacetate
Property Insights of 2-Butene-1,4-diol diacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butene-1,4-diol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butene-1,4-diol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene-1,4-diol 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-Butene-1,4-diol diacetate?
The CAS number of 2-Butene-1,4-diol diacetate is 1576-98-3.
What is the molecular formula of 2-Butene-1,4-diol diacetate?
The molecular formula of 2-Butene-1,4-diol diacetate is C8H12O4.
What is the molecular weight of 2-Butene-1,4-diol diacetate?
The molecular weight of 2-Butene-1,4-diol diacetate is 172.07 g/mol.
Where can I buy 2-Butene-1,4-diol diacetate?
You can request a quote for 2-Butene-1,4-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene-1,4-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene-1,4-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.