Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate
TL;DR: Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate (CAS 73972-25-5) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-acetamido-3-acetylsulfanylprop-2-enoate
Also Known As: Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate, methyl (E)-2-acetamido-3-acetylsulfanylprop-2-enoate
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 0.4166 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 285.06586 |
Chemical Identifiers
| CAS Number | 73972-25-5 |
|---|---|
| SMILES | CC(=O)N/C(=C/SC(=O)C)/C(=O)OC |
Product Overview
Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate (CAS 73972-25-5), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: methyl (E)-2-acetamido-3-acetylsulfanylprop-2-enoate.
Chemical Property Profile of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate
Property Insights of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate
The XLogP value of 0.4166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate has 1 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 Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate?
The CAS number of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate is 73972-25-5.
What is the molecular formula of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate?
The molecular formula of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate is C8H11NO4S.
What is the molecular weight of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate?
The molecular weight of Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate is 217.04 g/mol.
Where can I buy Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate?
You can request a quote for Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-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 (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-2-acetamido-3-(acetylsulfanyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.