tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
TL;DR: tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate (CAS 177752-92-0) is a chemical compound with molecular formula C10H18INO2 and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate, null, 1-Boc-2-(Iodomethyl)pyrrolidine, HT964, tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
| Molecular Formula | C10H18INO2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.03824 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 177752-92-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1CI |
| InChIKey | QCETXLFSWJGTAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate (CAS 177752-92-0), with molecular formula C10H18INO2 and molecular weight 311.04 g/mol. IUPAC: tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
Property Insights of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-(iodomethyl)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-(iodomethyl)pyrrolidine-1-carboxylate?
The CAS number of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate is 177752-92-0.
What is the molecular formula of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate?
The molecular formula of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate is C10H18INO2.
What is the molecular weight of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate?
The molecular weight of tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate is 311.04 g/mol.
Where can I buy tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate?
You can request a quote for tert-Butyl 2-(iodomethyl)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-(iodomethyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.