tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate
TL;DR: tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate (CAS 164919-17-9) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-methylphenyl)pyrrolidine-1-carboxylate
Also Known As: 2-(p-Tolyl)-1-Boc-pyrrolidine, Tert-butyl 2-(4-methylphenyl)pyrrolidine-1-carboxylate, tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate, 2-(4-Methylphenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, 2-(4-Methylphenyl)pyrrolidine-1-carboxylic acid tert-butyl ester
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 4.06702 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 444.8119 |
Chemical Identifiers
| CAS Number | 164919-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CCCN2C(=O)OC(C)(C)C |
Product Overview
tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate (CAS 164919-17-9), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: tert-butyl 2-(4-methylphenyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate
Property Insights of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate
The XLogP value of 4.06702 indicates that tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate?
The CAS number of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate is 164919-17-9.
What is the molecular formula of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate?
The molecular formula of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate is C16H23NO2.
What is the molecular weight of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate?
The molecular weight of tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate is 261.17 g/mol.
Where can I buy tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate?
You can request a quote for tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-(p-tolyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.