Methyl-3-(methylamino)acrylate
TL;DR: Methyl-3-(methylamino)acrylate (CAS 98071-13-7) 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 3-(methylamino)prop-2-enoate
Also Known As: methyl 3-methylaminoacrylate, methyl-3-(methylamino)acrylate
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 98071-13-7 |
|---|---|
| SMILES | CNC=CC(=O)OC |
| InChIKey | GGISTIZBGKODNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-3-(methylamino)acrylate (CAS 98071-13-7), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: methyl 3-(methylamino)prop-2-enoate.
Chemical Property Profile of Methyl-3-(methylamino)acrylate
Property Insights of Methyl-3-(methylamino)acrylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-3-(methylamino)acrylate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl-3-(methylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-3-(methylamino)acrylate 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-(methylamino)acrylate?
The CAS number of Methyl-3-(methylamino)acrylate is 98071-13-7.
What is the molecular formula of Methyl-3-(methylamino)acrylate?
The molecular formula of Methyl-3-(methylamino)acrylate is C5H9NO2.
What is the molecular weight of Methyl-3-(methylamino)acrylate?
The molecular weight of Methyl-3-(methylamino)acrylate is 115.06 g/mol.
Where can I buy Methyl-3-(methylamino)acrylate?
You can request a quote for Methyl-3-(methylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-3-(methylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-3-(methylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.