tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate
TL;DR: tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate (CAS 102284-41-3) is a chemical compound with molecular formula C11H18ClNO3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate
Also Known As: tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate, (N-t-Boc-L-prolyl) chloromethane, 1-Boc-(2S)-2-(2-Chloroacetyl)pyrrolidine, 1-Pyrrolidinecarboxylic acid, 2-(2-chloroacetyl)-, 1,1-dimethylethyl ester, (2S)-, (S)-tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-car
| Molecular Formula | C11H18ClNO3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.1938 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09752 |
| Heavy Atoms | 16 |
| Complexity | 285.4445 |
Chemical Identifiers
| CAS Number | 102284-41-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCl |
Product Overview
tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate (CAS 102284-41-3), with molecular formula C11H18ClNO3 and molecular weight 247.10 g/mol. IUPAC: tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate
Property Insights of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate
The XLogP value of 2.1938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate 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 tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate?
The CAS number of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate is 102284-41-3.
What is the molecular formula of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate?
The molecular formula of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate is C11H18ClNO3.
What is the molecular weight of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate?
The molecular weight of tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate is 247.10 g/mol.
Where can I buy tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate?
You can request a quote for tert-butyl (2S)-2-(2-chloroacetyl)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 (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S)-2-(2-chloroacetyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.