3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate
TL;DR: 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate (CAS 351335-90-5) is a chemical compound with molecular formula C16H31NO2 and molecular weight 269.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate
Also Known As: 3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate, 3,7-dimethyloctyl pyrrolidin-1-ylacetate, 3,7-dimethyloctyl 1-pyrrolidinylacetate, 3,7-Dimethyloctyl (pyrrolidin-1-yl)acetate, 3,7-DIMETHYLOCTYL 2-(1-PYRROLIDINYL)ACETATE
| Molecular Formula | C16H31NO2 |
|---|---|
| Molecular Weight | 269.24 g/mol |
| LogP | 3.4779 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 269.23547 |
| Heavy Atoms | 19 |
| Complexity | 247.13348 |
Chemical Identifiers
| CAS Number | 351335-90-5 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC(=O)CN1CCCC1 |
Product Overview
3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate (CAS 351335-90-5), with molecular formula C16H31NO2 and molecular weight 269.24 g/mol. IUPAC: 3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate.
Chemical Property Profile of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate
Property Insights of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate
The XLogP value of 3.4779 indicates that 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate 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 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate?
The CAS number of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate is 351335-90-5.
What is the molecular formula of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate?
The molecular formula of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate is C16H31NO2.
What is the molecular weight of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate?
The molecular weight of 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate is 269.24 g/mol.
Where can I buy 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate?
You can request a quote for 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.