But-2-ene-1,1-diyl diacetate
TL;DR: But-2-ene-1,1-diyl diacetate (CAS 5860-35-5) 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.
1-acetyloxybut-2-enyl acetate
Also Known As: 1-acetyloxybut-2-enyl acetate, 2-Butene-1,1-diyl diacetate, CROTONALDEHYDE DIACETATE, but-2-ene-1,1-diyl diacetate, 2-Butene-1,1-diol,1,1-diacetate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 5860-35-5 |
|---|---|
| SMILES | CC=CC(OC(=O)C)OC(=O)C |
| InChIKey | YSKRCULMSHXOLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
But-2-ene-1,1-diyl diacetate (CAS 5860-35-5), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 1-acetyloxybut-2-enyl acetate.
Chemical Property Profile of But-2-ene-1,1-diyl diacetate
Property Insights of But-2-ene-1,1-diyl diacetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-ene-1,1-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, But-2-ene-1,1-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-ene-1,1-diyl 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 But-2-ene-1,1-diyl diacetate?
The CAS number of But-2-ene-1,1-diyl diacetate is 5860-35-5.
What is the molecular formula of But-2-ene-1,1-diyl diacetate?
The molecular formula of But-2-ene-1,1-diyl diacetate is C8H12O4.
What is the molecular weight of But-2-ene-1,1-diyl diacetate?
The molecular weight of But-2-ene-1,1-diyl diacetate is 172.07 g/mol.
Where can I buy But-2-ene-1,1-diyl diacetate?
You can request a quote for But-2-ene-1,1-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-ene-1,1-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for But-2-ene-1,1-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.