(E)-3-formylbut-2-enyl acetate
TL;DR: (E)-3-formylbut-2-enyl acetate (CAS 151-38-2) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-methyl-4-oxobut-2-enyl] acetate
Also Known As: 3-Formylbut-2-enyl acetate, (E)-3-Formylbut-2-enyl acetate, EINECS 247-825-4, 3-methyl-4-oxo-2-butenyl acetate, 4-acetoxy-2-methylcrotonaldehyde
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.6947 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 158.23416 |
Chemical Identifiers
| CAS Number | 151-38-2 |
|---|---|
| SMILES | C/C(=C\COC(=O)C)/C=O |
Product Overview
(E)-3-formylbut-2-enyl acetate (CAS 151-38-2), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: [(E)-3-methyl-4-oxobut-2-enyl] acetate.
Chemical Property Profile of (E)-3-formylbut-2-enyl acetate
Property Insights of (E)-3-formylbut-2-enyl acetate
The XLogP value of 0.6947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-formylbut-2-enyl acetate. With a topological polar surface area (TPSA) of 43.37 Ų, (E)-3-formylbut-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-formylbut-2-enyl acetate has 0 hydrogen bond donor(s) and 3 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 (E)-3-formylbut-2-enyl acetate?
The CAS number of (E)-3-formylbut-2-enyl acetate is 151-38-2.
What is the molecular formula of (E)-3-formylbut-2-enyl acetate?
The molecular formula of (E)-3-formylbut-2-enyl acetate is C7H10O3.
What is the molecular weight of (E)-3-formylbut-2-enyl acetate?
The molecular weight of (E)-3-formylbut-2-enyl acetate is 142.06 g/mol.
Where can I buy (E)-3-formylbut-2-enyl acetate?
You can request a quote for (E)-3-formylbut-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 (E)-3-formylbut-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-formylbut-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.