(E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate
TL;DR: (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate (CAS 840462-35-3) is a chemical compound with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate, ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate, ethyl 4-{[(2E)-2-(acetylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C27H26N2O7S |
|---|---|
| Molecular Weight | 522.15 g/mol |
| LogP | 4.05512 |
| Topological Polar Surface Area | 127.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.14606 |
| Heavy Atoms | 37 |
| Complexity | 1411.0862 |
Chemical Identifiers
| CAS Number | 840462-35-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)/NC(=O)C |
Product Overview
(E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate (CAS 840462-35-3), with molecular formula C27H26N2O7S and molecular weight 522.15 g/mol. IUPAC: ethyl 4-[[(E)-2-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate
Property Insights of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate
The XLogP value of 4.05512 indicates that (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate?
The CAS number of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate is 840462-35-3.
What is the molecular formula of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate?
The molecular formula of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate is C27H26N2O7S.
What is the molecular weight of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate?
The molecular weight of (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate is 522.15 g/mol.
Where can I buy (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate?
You can request a quote for (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-acetamido-3-(4-(tosyloxy)phenyl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.