Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester
TL;DR: Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester (CAS 100311-42-0) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrrolidin-1-ylethyl 2,6-dimethylbenzoate
Also Known As: 2-pyrrolidin-1-ylethyl 2,6-dimethylbenzoate, 2,6-Dimethylbenzoic acid 2-(1-pyrrolidinyl)ethyl ester, 2-(pyrrolidin-1-yl)ethyl 2,6-dimethylbenzoate, BENZOIC ACID, 2,6-DIMETHYL-, 2-(1-PYRROLIDINYL)ETHYL ESTER, 2-(1-Pyrrolidinyl)ethyl=2,6-dimethylbenzoate
Technical Specifications
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.15723 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.15723 Da |
| Heavy Atoms | 18 |
| Complexity | 264.0 |
| SMILES | CC1=C(C(=CC=C1)C)C(=O)OCCN2CCCC2 |
| InChIKey | PPNRGAWIOVQCBT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester
Property Insights of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester
The XLogP value of 3.0 indicates that Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester 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
What is the CAS number of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester?
The CAS number of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester is 100311-42-0.
What is the molecular formula of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester?
The molecular formula of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester is C15H21NO2.
What is the molecular weight of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester?
The molecular weight of Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester is 247.15723 g/mol.
Where can I buy Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester?
You can request a quote for Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,6-dimethyl-, 2-(1-pyrrolidinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.