Ethyl 3-acetamidobut-2-enoate
TL;DR: Ethyl 3-acetamidobut-2-enoate (CAS 55572-47-9) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamidobut-2-enoate
Also Known As: (E)-Ethyl 3-acetamidobut-2-enoate, ethyl 3-acetamidobut-2-enoate, (Z)-Ethyl 3-acetamidobut-2-enoate, ETHYL (2E)-3-ACETAMIDOBUT-2-ENOATE, 2-Butenoic acid, 3-(acetylamino)-, ethyl ester
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.5894 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 208.34851 |
Chemical Identifiers
| CAS Number | 55572-47-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NC(=O)C |
Product Overview
Ethyl 3-acetamidobut-2-enoate (CAS 55572-47-9), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: ethyl 3-acetamidobut-2-enoate.
Chemical Property Profile of Ethyl 3-acetamidobut-2-enoate
Property Insights of Ethyl 3-acetamidobut-2-enoate
The XLogP value of 0.5894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-acetamidobut-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-acetamidobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-acetamidobut-2-enoate has 1 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 Ethyl 3-acetamidobut-2-enoate?
The CAS number of Ethyl 3-acetamidobut-2-enoate is 55572-47-9.
What is the molecular formula of Ethyl 3-acetamidobut-2-enoate?
The molecular formula of Ethyl 3-acetamidobut-2-enoate is C8H13NO3.
What is the molecular weight of Ethyl 3-acetamidobut-2-enoate?
The molecular weight of Ethyl 3-acetamidobut-2-enoate is 171.09 g/mol.
Where can I buy Ethyl 3-acetamidobut-2-enoate?
You can request a quote for Ethyl 3-acetamidobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-acetamidobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-acetamidobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.