(E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate
TL;DR: (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate (CAS 840477-46-5) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate
Also Known As: (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate, ethyl (E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate, ethyl (2E)-2-(acetylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoate
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 2.80282 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 976.3609 |
Chemical Identifiers
| CAS Number | 840477-46-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C |
Product Overview
(E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate (CAS 840477-46-5), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: ethyl (E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate
Property Insights of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate
The XLogP value of 2.80282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate has 1 hydrogen bond donor(s) and 6 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 (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate?
The CAS number of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate is 840477-46-5.
What is the molecular formula of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate?
The molecular formula of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate is C20H21NO6S.
What is the molecular weight of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate?
The molecular weight of (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate is 403.11 g/mol.
Where can I buy (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate?
You can request a quote for (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-acetamido-3-(4-(tosyloxy)phenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.