3-苯氨基-2-丁烯酸乙酯
TL;DR: 3-苯氨基-2-丁烯酸乙酯 (CAS 6287-35-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯氨基-2-丁烯酸乙酯
ethyl 3-anilinobut-2-enoate
Also Known As: ethyl 3-anilinobut-2-enoate, Ethyl 3-anilinocrotonate, ethyl 3-phenylaminobut-2-enoate, ethyl-3-phenylaminobut-2-enoate, ethyl 3-(phenylamino)but-2-enoate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 6287-35-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NC1=CC=CC=C1 |
| InChIKey | NLGDIRPNWGZGLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯氨基-2-丁烯酸乙酯 (CAS 6287-35-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl 3-anilinobut-2-enoate.
Chemical Property Profile of 3-苯氨基-2-丁烯酸乙酯
Property Insights of 3-苯氨基-2-丁烯酸乙酯
The XLogP value of 3.2 indicates that 3-苯氨基-2-丁烯酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 3-苯氨基-2-丁烯酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯氨基-2-丁烯酸乙酯 has 1 hydrogen bond donor(s) and 3 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-苯氨基-2-丁烯酸乙酯?
The CAS number of 3-苯氨基-2-丁烯酸乙酯 is 6287-35-0.
What is the molecular formula of 3-苯氨基-2-丁烯酸乙酯?
The molecular formula of 3-苯氨基-2-丁烯酸乙酯 is C12H15NO2.
What is the molecular weight of 3-苯氨基-2-丁烯酸乙酯?
The molecular weight of 3-苯氨基-2-丁烯酸乙酯 is 205.11 g/mol.
Where can I buy 3-苯氨基-2-丁烯酸乙酯?
You can request a quote for 3-苯氨基-2-丁烯酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯氨基-2-丁烯酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯氨基-2-丁烯酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.