3,4-Diacetoxy-1-butene
TL;DR: 3,4-Diacetoxy-1-butene (CAS 18085-02-4) 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.
2-acetyloxybut-3-enyl acetate
Also Known As: 3,4-Diacetoxy-1-butene, Diacetoxybutene, But-3-ene-1,2-diyl diacetate, 1,2-Diacetoxy-3-butene, DAcB
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.6672 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 185.49689 |
Chemical Identifiers
| CAS Number | 18085-02-4 |
|---|---|
| SMILES | CC(=O)OCC(C=C)OC(=O)C |
Product Overview
3,4-Diacetoxy-1-butene (CAS 18085-02-4), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 2-acetyloxybut-3-enyl acetate.
Chemical Property Profile of 3,4-Diacetoxy-1-butene
Property Insights of 3,4-Diacetoxy-1-butene
The XLogP value of 0.6672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diacetoxy-1-butene. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Diacetoxy-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diacetoxy-1-butene 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 3,4-Diacetoxy-1-butene?
The CAS number of 3,4-Diacetoxy-1-butene is 18085-02-4.
What is the molecular formula of 3,4-Diacetoxy-1-butene?
The molecular formula of 3,4-Diacetoxy-1-butene is C8H12O4.
What is the molecular weight of 3,4-Diacetoxy-1-butene?
The molecular weight of 3,4-Diacetoxy-1-butene is 172.07 g/mol.
Where can I buy 3,4-Diacetoxy-1-butene?
You can request a quote for 3,4-Diacetoxy-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diacetoxy-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diacetoxy-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.