Ethyl 3-(acetoxy)-3-butenoate
TL;DR: Ethyl 3-(acetoxy)-3-butenoate (CAS 27593-43-7) 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.
ethyl 3-acetyloxybut-3-enoate
Also Known As: Ethyl 3-(acetoxy)-3-butenoate, ethyl 3-acetoxybut-3-enoate, ethyl 3-acetyloxybut-3-enoate, ETHYL 3-(ACETYLOXY)BUT-3-ENOATE, 3-Acetoxy-3-butenoic acid ethyl ester
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 27593-43-7 |
|---|---|
| SMILES | CCOC(=O)CC(=C)OC(=O)C |
| InChIKey | MSFQVKVROYFEJO-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(acetoxy)-3-butenoate (CAS 27593-43-7), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: ethyl 3-acetyloxybut-3-enoate.
Chemical Property Profile of Ethyl 3-(acetoxy)-3-butenoate
Property Insights of Ethyl 3-(acetoxy)-3-butenoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(acetoxy)-3-butenoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(acetoxy)-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(acetoxy)-3-butenoate 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 Ethyl 3-(acetoxy)-3-butenoate?
The CAS number of Ethyl 3-(acetoxy)-3-butenoate is 27593-43-7.
What is the molecular formula of Ethyl 3-(acetoxy)-3-butenoate?
The molecular formula of Ethyl 3-(acetoxy)-3-butenoate is C8H12O4.
What is the molecular weight of Ethyl 3-(acetoxy)-3-butenoate?
The molecular weight of Ethyl 3-(acetoxy)-3-butenoate is 172.07 g/mol.
Where can I buy Ethyl 3-(acetoxy)-3-butenoate?
You can request a quote for Ethyl 3-(acetoxy)-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(acetoxy)-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(acetoxy)-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.