4-Acetoxy-2-methylbut-2-enyl acetate
TL;DR: 4-Acetoxy-2-methylbut-2-enyl acetate (CAS 30264-54-1) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-3-methylbut-2-enyl) acetate
Also Known As: 4-acetoxy-2-methylbut-2-enyl acetate, 2-Methylbut-2-ene-1,4-diyl diacetate, (4-acetyloxy-3-methylbut-2-enyl) acetate, 2-Butene-1,4-diol, 2-methyl-, 1,4-diacetate, 2-Butene-1,4-diol,2-methyl-, 1,4-diacetate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 30264-54-1 |
|---|---|
| SMILES | CC(=CCOC(=O)C)COC(=O)C |
| InChIKey | LJPNEMAMFITRSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetoxy-2-methylbut-2-enyl acetate (CAS 30264-54-1), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: (4-acetyloxy-3-methylbut-2-enyl) acetate.
Chemical Property Profile of 4-Acetoxy-2-methylbut-2-enyl acetate
Property Insights of 4-Acetoxy-2-methylbut-2-enyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetoxy-2-methylbut-2-enyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Acetoxy-2-methylbut-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetoxy-2-methylbut-2-enyl acetate 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 4-Acetoxy-2-methylbut-2-enyl acetate?
The CAS number of 4-Acetoxy-2-methylbut-2-enyl acetate is 30264-54-1.
What is the molecular formula of 4-Acetoxy-2-methylbut-2-enyl acetate?
The molecular formula of 4-Acetoxy-2-methylbut-2-enyl acetate is C9H14O4.
What is the molecular weight of 4-Acetoxy-2-methylbut-2-enyl acetate?
The molecular weight of 4-Acetoxy-2-methylbut-2-enyl acetate is 186.09 g/mol.
Where can I buy 4-Acetoxy-2-methylbut-2-enyl acetate?
You can request a quote for 4-Acetoxy-2-methylbut-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-2-methylbut-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-2-methylbut-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.