3-(3-异氰酸酯基苯基)丙烯酸乙酯
TL;DR: 3-(3-异氰酸酯基苯基)丙烯酸乙酯 (CAS 19201-38-8) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-异氰酸酯基苯基)丙烯酸乙酯
ethyl 3-(3-isocyanatophenyl)prop-2-enoate
Also Known As: Ethyl 3-(3-isocyanatophenyl)acrylate, ethyl 3-(3-isocyanatophenyl)prop-2-enoate, 2-Propenoic acid,3-(3-isocyanatophenyl)-, ethyl ester, EINECS 242-875-3
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 19201-38-8 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=CC=C1)N=C=O |
| InChIKey | VUFWMWBNRFMIHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-异氰酸酯基苯基)丙烯酸乙酯 (CAS 19201-38-8), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 3-(3-isocyanatophenyl)prop-2-enoate.
Chemical Property Profile of 3-(3-异氰酸酯基苯基)丙烯酸乙酯
Property Insights of 3-(3-异氰酸酯基苯基)丙烯酸乙酯
The XLogP value of 3.4 indicates that 3-(3-异氰酸酯基苯基)丙烯酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.7 Ų, 3-(3-异氰酸酯基苯基)丙烯酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-异氰酸酯基苯基)丙烯酸乙酯 has 0 hydrogen bond donor(s) and 4 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 3-(3-异氰酸酯基苯基)丙烯酸乙酯?
The CAS number of 3-(3-异氰酸酯基苯基)丙烯酸乙酯 is 19201-38-8.
What is the molecular formula of 3-(3-异氰酸酯基苯基)丙烯酸乙酯?
The molecular formula of 3-(3-异氰酸酯基苯基)丙烯酸乙酯 is C12H11NO3.
What is the molecular weight of 3-(3-异氰酸酯基苯基)丙烯酸乙酯?
The molecular weight of 3-(3-异氰酸酯基苯基)丙烯酸乙酯 is 217.07 g/mol.
Where can I buy 3-(3-异氰酸酯基苯基)丙烯酸乙酯?
You can request a quote for 3-(3-异氰酸酯基苯基)丙烯酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-异氰酸酯基苯基)丙烯酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-异氰酸酯基苯基)丙烯酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.