(S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate
TL;DR: (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate (CAS 945917-91-9) is a chemical compound with molecular formula C16H21BrN2O3 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
Also Known As: (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate, t-butyl (s)-2-((4-bromophenyl)carbamoyl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C16H21BrN2O3 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 3.7871 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.07355 |
| Heavy Atoms | 22 |
| Complexity | 551.5045 |
Chemical Identifiers
| CAS Number | 945917-91-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)Br |
Product Overview
(S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate (CAS 945917-91-9), with molecular formula C16H21BrN2O3 and molecular weight 368.07 g/mol. IUPAC: tert-butyl (2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate
Property Insights of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate
The XLogP value of 3.7871 indicates that (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-tert-butyl 2-(4-bromophenylcarbamoyl)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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate?
The CAS number of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate is 945917-91-9.
What is the molecular formula of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate is C16H21BrN2O3.
What is the molecular weight of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate is 368.07 g/mol.
Where can I buy (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-tert-butyl 2-(4-bromophenylcarbamoyl)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 (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl 2-(4-bromophenylcarbamoyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.