Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
TL;DR: Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate (CAS 135884-94-5) is a chemical compound with molecular formula C13H24N2O3 and molecular weight 256.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoate
Also Known As: Evv-och3, Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate, methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoate, methyl 3-methyl-2-(2/'-oxo-3/'-isopropyl-1/'-piperazinyl)butanoate, Methyl 3-methyl-2-[2-oxo-3-(propan-2-yl)piperazin-1-yl]butanoate
| Molecular Formula | C13H24N2O3 |
|---|---|
| Molecular Weight | 256.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.17868 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 135884-94-5 |
|---|---|
| SMILES | CC(C)C1C(=O)N(CCN1)C(C(C)C)C(=O)OC |
| InChIKey | UTBKDNCJQXGYOJ-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate (CAS 135884-94-5), with molecular formula C13H24N2O3 and molecular weight 256.18 g/mol. IUPAC: methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoate.
Chemical Property Profile of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
Property Insights of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate. With a topological polar surface area (TPSA) of 58.6 Ų, Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate has 1 hydrogen bond donor(s) and 4 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-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate?
The CAS number of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate is 135884-94-5.
What is the molecular formula of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate?
The molecular formula of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate is C13H24N2O3.
What is the molecular weight of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate?
The molecular weight of Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate is 256.18 g/mol.
Where can I buy Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate?
You can request a quote for Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.