tert-butyl N-(2-iodoethyl)carbamate
TL;DR: tert-butyl N-(2-iodoethyl)carbamate (CAS 122234-46-2) is a chemical compound with molecular formula C7H14INO2 and molecular weight 271.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-iodoethyl)carbamate
Also Known As: tert-butyl (2-iodoethyl)carbamate, tert-butyl N-(2-iodoethyl)carbamate, N-Boc-2-iodoethanamine, tert-butyl(2-iodoethyl)carbamate, TERT-BUTYL 2-IODOETHYLCARBAMATE
| Molecular Formula | C7H14INO2 |
|---|---|
| Molecular Weight | 271.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.00693 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 122234-46-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCI |
| InChIKey | AOEDOXQZANMVHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-butyl N-(2-iodoethyl)carbamate (CAS 122234-46-2), with molecular formula C7H14INO2 and molecular weight 271.01 g/mol. IUPAC: tert-butyl N-(2-iodoethyl)carbamate.
Chemical Property Profile of tert-butyl N-(2-iodoethyl)carbamate
Property Insights of tert-butyl N-(2-iodoethyl)carbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-iodoethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, tert-butyl N-(2-iodoethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-iodoethyl)carbamate has 1 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 N-(2-iodoethyl)carbamate?
The CAS number of tert-butyl N-(2-iodoethyl)carbamate is 122234-46-2.
What is the molecular formula of tert-butyl N-(2-iodoethyl)carbamate?
The molecular formula of tert-butyl N-(2-iodoethyl)carbamate is C7H14INO2.
What is the molecular weight of tert-butyl N-(2-iodoethyl)carbamate?
The molecular weight of tert-butyl N-(2-iodoethyl)carbamate is 271.01 g/mol.
Where can I buy tert-butyl N-(2-iodoethyl)carbamate?
You can request a quote for tert-butyl N-(2-iodoethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-iodoethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-iodoethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.