3-氨基-2-丁烯酸乙酯
TL;DR: 3-氨基-2-丁烯酸乙酯 (CAS 7318-00-5) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基-2-丁烯酸乙酯
ethyl 3-aminobut-2-enoate
Also Known As: Ethyl 3-aminocrotonate, ethyl 3-aminobut-2-enoate, 3-Amino-2-butenoic Acid Ethyl Ester, Ethyl 3-amino-2-butenoate, Ethyl
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 7318-00-5 |
|---|---|
| SMILES | CCOC(=O)C=C(C)N |
| InChIKey | YPMPTULBFPFSEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基-2-丁烯酸乙酯 (CAS 7318-00-5), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: ethyl 3-aminobut-2-enoate.
Chemical Property Profile of 3-氨基-2-丁烯酸乙酯
Property Insights of 3-氨基-2-丁烯酸乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基-2-丁烯酸乙酯. With a topological polar surface area (TPSA) of 52.3 Ų, 3-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-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-氨基-2-丁烯酸乙酯?
The CAS number of 3-氨基-2-丁烯酸乙酯 is 7318-00-5.
What is the molecular formula of 3-氨基-2-丁烯酸乙酯?
The molecular formula of 3-氨基-2-丁烯酸乙酯 is C6H11NO2.
What is the molecular weight of 3-氨基-2-丁烯酸乙酯?
The molecular weight of 3-氨基-2-丁烯酸乙酯 is 129.08 g/mol.
Where can I buy 3-氨基-2-丁烯酸乙酯?
You can request a quote for 3-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-氨基-2-丁烯酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基-2-丁烯酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.