1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine
TL;DR: 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine (CAS 69552-08-5) is a chemical compound with molecular formula C16H20F3NO2 and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] propanoate
Also Known As: 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine, 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)pyrrolidin-3-ol propionate, 3-Pyrrolidinol, 1,2-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, propionate (ester), 1,2-DIMETHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]PYRROLIDIN-3-YL PROPANOATE, [1,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] propanoate
| Molecular Formula | C16H20F3NO2 |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 3.5779 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.14462 |
| Heavy Atoms | 22 |
| Complexity | 558.5671 |
Chemical Identifiers
| CAS Number | 69552-08-5 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(C1C)C)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine (CAS 69552-08-5), with molecular formula C16H20F3NO2 and molecular weight 315.14 g/mol. IUPAC: [1,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] propanoate.
Chemical Property Profile of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine
Property Insights of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine
The XLogP value of 3.5779 indicates that 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine 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 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine?
The CAS number of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine is 69552-08-5.
What is the molecular formula of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine?
The molecular formula of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine is C16H20F3NO2.
What is the molecular weight of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine?
The molecular weight of 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine is 315.14 g/mol.
Where can I buy 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine?
You can request a quote for 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-propionoxypyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.