Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate
TL;DR: Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate (CAS 40163-06-2) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate
Also Known As: methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 40163-06-2 |
|---|---|
| SMILES | CCC(C1CCN(C(=O)C1=C)C)C(=O)OC |
| InChIKey | CPVXNWKMPNIHFB-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate (CAS 40163-06-2), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate.
Chemical Property Profile of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate
Property Insights of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate has 0 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 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate?
The CAS number of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate is 40163-06-2.
What is the molecular formula of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate?
The molecular formula of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate is C12H19NO3.
What is the molecular weight of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate?
The molecular weight of Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate is 225.14 g/mol.
Where can I buy Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate?
You can request a quote for Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-methyl-3-methylidene-2-oxopiperidin-4-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.