Methyl 2-acetamido-3-methylbut-2-enoate
TL;DR: Methyl 2-acetamido-3-methylbut-2-enoate (CAS 39239-88-8) 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.
methyl 2-acetamido-3-methylbut-2-enoate
Also Known As: methyl 2-acetamido-3-methylbut-2-enoate, Methyl 2-acetamido-3-methyl-but-2-enoate, 2-(Acetylamino)-3-methyl-2-butenoic acid methyl 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 | 2 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 226.45747 |
Chemical Identifiers
| CAS Number | 39239-88-8 |
|---|---|
| SMILES | CC(=C(C(=O)OC)NC(=O)C)C |
Product Overview
Methyl 2-acetamido-3-methylbut-2-enoate (CAS 39239-88-8), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 2-acetamido-3-methylbut-2-enoate.
Chemical Property Profile of Methyl 2-acetamido-3-methylbut-2-enoate
Property Insights of Methyl 2-acetamido-3-methylbut-2-enoate
The XLogP value of 0.5894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-3-methylbut-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-acetamido-3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetamido-3-methylbut-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 Methyl 2-acetamido-3-methylbut-2-enoate?
The CAS number of Methyl 2-acetamido-3-methylbut-2-enoate is 39239-88-8.
What is the molecular formula of Methyl 2-acetamido-3-methylbut-2-enoate?
The molecular formula of Methyl 2-acetamido-3-methylbut-2-enoate is C8H13NO3.
What is the molecular weight of Methyl 2-acetamido-3-methylbut-2-enoate?
The molecular weight of Methyl 2-acetamido-3-methylbut-2-enoate is 171.09 g/mol.
Where can I buy Methyl 2-acetamido-3-methylbut-2-enoate?
You can request a quote for Methyl 2-acetamido-3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.