2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester
TL;DR: 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester (CAS 54554-39-1) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl prop-2-enoate
Also Known As: 2-Hydroxyethyl acrylate, toluene diisocyanate carbamate, Mono(hydroxyethylacrylate) blocked toluene diisocyanate, 2-Propenoic acid, 2-[[[(3-isocyanatomethylphenyl)amino]carbonyl]oxy]ethyl ester, 2-({[3-(isocyanatomethyl)phenyl]carbamoyl}oxy)ethyl acrylate, 2-((((3-Isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl acrylate
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 54554-39-1 |
|---|---|
| SMILES | C=CC(=O)OCCOC(=O)NC1=CC=CC(=C1)CN=C=O |
| InChIKey | BGJFAGLDVUUDFJ-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester (CAS 54554-39-1), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: 2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester
Property Insights of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester 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 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester?
The CAS number of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester is 54554-39-1.
What is the molecular formula of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester?
The molecular formula of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester is C14H14N2O5.
What is the molecular weight of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester?
The molecular weight of 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester is 290.09 g/mol.
Where can I buy 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester?
You can request a quote for 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-((((3-isocyanatomethylphenyl)amino)carbonyl)oxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.