(E)-3-Formylbut-2-endiyl diacetate
TL;DR: (E)-3-Formylbut-2-endiyl diacetate (CAS 56269-66-0) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl] acetate
Also Known As: (E)-3-Formylbut-2-endiyl diacetate, EINECS 260-084-1, (2E)-3-Formylbut-2-ene-1,1-diyl diacetate, 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (E)-, [(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl] acetate
| Molecular Formula | C9H12O5 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 0.5839 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06847 |
| Heavy Atoms | 14 |
| Complexity | 250.37589 |
Chemical Identifiers
| CAS Number | 56269-66-0 |
|---|---|
| SMILES | C/C(=C\C(OC(=O)C)OC(=O)C)/C=O |
Product Overview
(E)-3-Formylbut-2-endiyl diacetate (CAS 56269-66-0), with molecular formula C9H12O5 and molecular weight 200.07 g/mol. IUPAC: [(E)-1-acetyloxy-3-methyl-4-oxobut-2-enyl] acetate.
Chemical Property Profile of (E)-3-Formylbut-2-endiyl diacetate
Property Insights of (E)-3-Formylbut-2-endiyl diacetate
The XLogP value of 0.5839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-Formylbut-2-endiyl diacetate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-Formylbut-2-endiyl diacetate. Following Lipinski's Rule of Five, (E)-3-Formylbut-2-endiyl diacetate has 0 hydrogen bond donor(s) and 5 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-endiyl diacetate?
The CAS number of (E)-3-Formylbut-2-endiyl diacetate is 56269-66-0.
What is the molecular formula of (E)-3-Formylbut-2-endiyl diacetate?
The molecular formula of (E)-3-Formylbut-2-endiyl diacetate is C9H12O5.
What is the molecular weight of (E)-3-Formylbut-2-endiyl diacetate?
The molecular weight of (E)-3-Formylbut-2-endiyl diacetate is 200.07 g/mol.
Where can I buy (E)-3-Formylbut-2-endiyl diacetate?
You can request a quote for (E)-3-Formylbut-2-endiyl diacetate 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-endiyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-Formylbut-2-endiyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.