Ethyl 3-(acetoxy)crotonate
TL;DR: Ethyl 3-(acetoxy)crotonate (CAS 27750-19-2) 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 (Z)-3-acetyloxybut-2-enoate
Also Known As: Ethyl 3-(acetoxy)crotonate, Edaravone Impurity 23, ethyl (Z)-3-acetyloxybut-2-enoate, Ethyl 3-acetoxy-2-butenoate, Ethyl 3-(acetoxy)isocrotonate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.0164 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 205.1034 |
Chemical Identifiers
| CAS Number | 27750-19-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\OC(=O)C |
Product Overview
Ethyl 3-(acetoxy)crotonate (CAS 27750-19-2), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: ethyl (Z)-3-acetyloxybut-2-enoate.
Chemical Property Profile of Ethyl 3-(acetoxy)crotonate
Property Insights of Ethyl 3-(acetoxy)crotonate
The XLogP value of 1.0164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(acetoxy)crotonate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(acetoxy)crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(acetoxy)crotonate 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)crotonate?
The CAS number of Ethyl 3-(acetoxy)crotonate is 27750-19-2.
What is the molecular formula of Ethyl 3-(acetoxy)crotonate?
The molecular formula of Ethyl 3-(acetoxy)crotonate is C8H12O4.
What is the molecular weight of Ethyl 3-(acetoxy)crotonate?
The molecular weight of Ethyl 3-(acetoxy)crotonate is 172.07 g/mol.
Where can I buy Ethyl 3-(acetoxy)crotonate?
You can request a quote for Ethyl 3-(acetoxy)crotonate 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)crotonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(acetoxy)crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.