Butyl 1-methyl-2-pyrrolidineacetate
TL;DR: Butyl 1-methyl-2-pyrrolidineacetate (CAS 196206-46-9) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(1-methylpyrrolidin-2-yl)acetate
Also Known As: Butyl 1-methyl-2-pyrrolidineacetate, butyl (1-methyl-2-pyrrolidinyl)acetate, butyl (1-methylpyrrolidin-2-yl)acetate, butyl 2-(1-methylpyrrolidin-2-yl)acetate, RefChem:330968
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 196206-46-9 |
|---|---|
| SMILES | CCCCOC(=O)CC1CCCN1C |
| InChIKey | DDOKJYBDDYKGIL-UHFFFAOYSA-N |
Product Overview
Butyl 1-methyl-2-pyrrolidineacetate (CAS 196206-46-9), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: butyl 2-(1-methylpyrrolidin-2-yl)acetate.
Chemical Property Profile of Butyl 1-methyl-2-pyrrolidineacetate
Property Insights of Butyl 1-methyl-2-pyrrolidineacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 1-methyl-2-pyrrolidineacetate. With a topological polar surface area (TPSA) of 29.5 Ų, Butyl 1-methyl-2-pyrrolidineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 1-methyl-2-pyrrolidineacetate 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 Butyl 1-methyl-2-pyrrolidineacetate?
The CAS number of Butyl 1-methyl-2-pyrrolidineacetate is 196206-46-9.
What is the molecular formula of Butyl 1-methyl-2-pyrrolidineacetate?
The molecular formula of Butyl 1-methyl-2-pyrrolidineacetate is C11H21NO2.
What is the molecular weight of Butyl 1-methyl-2-pyrrolidineacetate?
The molecular weight of Butyl 1-methyl-2-pyrrolidineacetate is 199.16 g/mol.
Where can I buy Butyl 1-methyl-2-pyrrolidineacetate?
You can request a quote for Butyl 1-methyl-2-pyrrolidineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 1-methyl-2-pyrrolidineacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 1-methyl-2-pyrrolidineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.