3-(Methylamino)-3-oxopropyl 2-propenoate
TL;DR: 3-(Methylamino)-3-oxopropyl 2-propenoate (CAS 59163-97-2) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(methylamino)-3-oxopropyl] prop-2-enoate
Also Known As: Methylcarbamylethyl acrylate, Methylcarbamoylethyl acrylate, 4-Chlor-phenethylalkohol-Acetat, 3-(Methylamino)-3-oxopropyl acrylate, Acrylic acid, methylcarbamylethyl ester
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 59163-97-2 |
|---|---|
| SMILES | CNC(=O)CCOC(=O)C=C |
| InChIKey | PBVFADSFYQFKNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylamino)-3-oxopropyl 2-propenoate (CAS 59163-97-2), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: [3-(methylamino)-3-oxopropyl] prop-2-enoate.
Chemical Property Profile of 3-(Methylamino)-3-oxopropyl 2-propenoate
Property Insights of 3-(Methylamino)-3-oxopropyl 2-propenoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylamino)-3-oxopropyl 2-propenoate. With a topological polar surface area (TPSA) of 55.4 Ų, 3-(Methylamino)-3-oxopropyl 2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylamino)-3-oxopropyl 2-propenoate 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-(Methylamino)-3-oxopropyl 2-propenoate?
The CAS number of 3-(Methylamino)-3-oxopropyl 2-propenoate is 59163-97-2.
What is the molecular formula of 3-(Methylamino)-3-oxopropyl 2-propenoate?
The molecular formula of 3-(Methylamino)-3-oxopropyl 2-propenoate is C7H11NO3.
What is the molecular weight of 3-(Methylamino)-3-oxopropyl 2-propenoate?
The molecular weight of 3-(Methylamino)-3-oxopropyl 2-propenoate is 157.07 g/mol.
Where can I buy 3-(Methylamino)-3-oxopropyl 2-propenoate?
You can request a quote for 3-(Methylamino)-3-oxopropyl 2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylamino)-3-oxopropyl 2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylamino)-3-oxopropyl 2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.