(S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate
TL;DR: (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate (CAS 151416-38-5) is a chemical compound with molecular formula C18H26N2O3 and molecular weight 318.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
Also Known As: BAS 01994839, (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
Technical Specifications
| Molecular Formula | C18H26N2O3 |
| Molecular Weight | 318.19434 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.19434 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C |
| InChIKey | AKQGMGRLHJGDPJ-AWEZNQCLSA-N |
Chemical Property Profile of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate
Property Insights of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate
The XLogP value of 3.3 indicates that (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate has 1 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 (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate?
The CAS number of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate is 151416-38-5.
What is the molecular formula of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate is C18H26N2O3.
What is the molecular weight of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate is 318.19434 g/mol.
Where can I buy (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 2-((2,6-dimethylphenyl)carbamoyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.