2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-
TL;DR: 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- (CAS 3222-57-9) 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.
ethyl (Z)-3-aminobut-2-enoate
Also Known As: Ethyl 3-aminocrotonate, (z)-ethyl 3-aminobut-2-enoate, ethyl 3-aminobut-2-enoate, ethyl (Z)-3-aminobut-2-enoate, Ethyl 3-amino-2-butenoate
| 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 | 3222-57-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\N |
| InChIKey | YPMPTULBFPFSEQ-PLNGDYQASA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- (CAS 3222-57-9), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: ethyl (Z)-3-aminobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-
Property Insights of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- 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 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-?
The CAS number of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- is 3222-57-9.
What is the molecular formula of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-?
The molecular formula of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- is C6H11NO2.
What is the molecular weight of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-?
The molecular weight of 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- is 129.08 g/mol.
Where can I buy 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-?
You can request a quote for 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-amino-, ethyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.