methyl 4-amino-4-oxobut-2-enoate
TL;DR: methyl 4-amino-4-oxobut-2-enoate (CAS 6971-10-4) is a chemical compound with molecular formula C5H7NO3 and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-4-oxobut-2-enoate
Also Known As: methyl 4-amino-4-oxobut-2-enoate, methyl 3-carbamoylprop-2-enoate, 2-Butenoic acid,4-amino-4-oxo-, methyl ester, (2E)-
| Molecular Formula | C5H7NO3 |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.04259 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 6971-10-4 |
|---|---|
| SMILES | COC(=O)C=CC(=O)N |
| InChIKey | VNVPVYUTTNLIEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 4-amino-4-oxobut-2-enoate (CAS 6971-10-4), with molecular formula C5H7NO3 and molecular weight 129.04 g/mol. IUPAC: methyl 4-amino-4-oxobut-2-enoate.
Chemical Property Profile of methyl 4-amino-4-oxobut-2-enoate
Property Insights of methyl 4-amino-4-oxobut-2-enoate
The XLogP value of -0.2 indicates that methyl 4-amino-4-oxobut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-amino-4-oxobut-2-enoate. Following Lipinski's Rule of Five, methyl 4-amino-4-oxobut-2-enoate 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 4-amino-4-oxobut-2-enoate?
The CAS number of methyl 4-amino-4-oxobut-2-enoate is 6971-10-4.
What is the molecular formula of methyl 4-amino-4-oxobut-2-enoate?
The molecular formula of methyl 4-amino-4-oxobut-2-enoate is C5H7NO3.
What is the molecular weight of methyl 4-amino-4-oxobut-2-enoate?
The molecular weight of methyl 4-amino-4-oxobut-2-enoate is 129.04 g/mol.
Where can I buy methyl 4-amino-4-oxobut-2-enoate?
You can request a quote for methyl 4-amino-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-amino-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-amino-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.