tert-butyl N-(4-iodophenyl)carbamate
TL;DR: tert-butyl N-(4-iodophenyl)carbamate (CAS 159217-89-7) is a chemical compound with molecular formula C11H14INO2 and molecular weight 319.00693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(4-iodophenyl)carbamate
Also Known As: N-Boc-4-iodoaniline, tert-butyl N-(4-iodophenyl)carbamate, tert-Butyl (4-iodophenyl)carbamate, N-Boc 4-iodoaniline, tert-butyl 4-iodophenylcarbamate
Technical Specifications
| Molecular Formula | C11H14INO2 |
| Molecular Weight | 319.00693 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.00693 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)I |
| InChIKey | CGALRQWBJFDAKN-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-(4-iodophenyl)carbamate
Property Insights of tert-butyl N-(4-iodophenyl)carbamate
The XLogP value of 4.1 indicates that tert-butyl N-(4-iodophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, tert-butyl N-(4-iodophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(4-iodophenyl)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
What is the CAS number of tert-butyl N-(4-iodophenyl)carbamate?
The CAS number of tert-butyl N-(4-iodophenyl)carbamate is 159217-89-7.
What is the molecular formula of tert-butyl N-(4-iodophenyl)carbamate?
The molecular formula of tert-butyl N-(4-iodophenyl)carbamate is C11H14INO2.
What is the molecular weight of tert-butyl N-(4-iodophenyl)carbamate?
The molecular weight of tert-butyl N-(4-iodophenyl)carbamate is 319.00693 g/mol.
Where can I buy tert-butyl N-(4-iodophenyl)carbamate?
You can request a quote for tert-butyl N-(4-iodophenyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-(4-iodophenyl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-(4-iodophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.