Methyl 3-amino-2-butenoate, (2E)-
TL;DR: Methyl 3-amino-2-butenoate, (2E)- (CAS 22247-83-2) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-aminobut-2-enoate
Also Known As: Methyl 3-aminocrotonate, methyl (E)-3-aminobut-2-enoate, methyl 3-aminobut-2-enoate, (E)-methyl 3-aminobut-2-enoate, Nimodipine Impurity 6
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 22247-83-2 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/N |
| InChIKey | XKORCTIIRYKLLG-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-amino-2-butenoate, (2E)- (CAS 22247-83-2), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: methyl (E)-3-aminobut-2-enoate.
Chemical Property Profile of Methyl 3-amino-2-butenoate, (2E)-
Property Insights of Methyl 3-amino-2-butenoate, (2E)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-2-butenoate, (2E)-. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-amino-2-butenoate, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-2-butenoate, (2E)- 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 Methyl 3-amino-2-butenoate, (2E)-?
The CAS number of Methyl 3-amino-2-butenoate, (2E)- is 22247-83-2.
What is the molecular formula of Methyl 3-amino-2-butenoate, (2E)-?
The molecular formula of Methyl 3-amino-2-butenoate, (2E)- is C5H9NO2.
What is the molecular weight of Methyl 3-amino-2-butenoate, (2E)-?
The molecular weight of Methyl 3-amino-2-butenoate, (2E)- is 115.06 g/mol.
Where can I buy Methyl 3-amino-2-butenoate, (2E)-?
You can request a quote for Methyl 3-amino-2-butenoate, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-2-butenoate, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-2-butenoate, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.