Tert-butyl 2-iodo-4-methoxyphenylcarbamate
TL;DR: Tert-butyl 2-iodo-4-methoxyphenylcarbamate (CAS 157496-75-8) is a chemical compound with molecular formula C12H16INO3 and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-iodo-4-methoxyphenyl)carbamate
Also Known As: tert-butyl 2-iodo-4-methoxyphenylcarbamate, tert-butyl (2-iodo-4-methoxyphenyl)carbamate, tert-butyl N-(2-iodo-4-methoxyphenyl)carbamate, N-Boc-2-iodo-4-methoxyaniline, tert-butyl(2-iodo-4-methoxyphenyl)carbamate
| Molecular Formula | C12H16INO3 |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 3.6468 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0175 |
| Heavy Atoms | 17 |
| Complexity | 412.70203 |
Chemical Identifiers
| CAS Number | 157496-75-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC)I |
Product Overview
Tert-butyl 2-iodo-4-methoxyphenylcarbamate (CAS 157496-75-8), with molecular formula C12H16INO3 and molecular weight 349.02 g/mol. IUPAC: tert-butyl N-(2-iodo-4-methoxyphenyl)carbamate.
Chemical Property Profile of Tert-butyl 2-iodo-4-methoxyphenylcarbamate
Property Insights of Tert-butyl 2-iodo-4-methoxyphenylcarbamate
The XLogP value of 3.6468 indicates that Tert-butyl 2-iodo-4-methoxyphenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Tert-butyl 2-iodo-4-methoxyphenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-iodo-4-methoxyphenylcarbamate 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 Tert-butyl 2-iodo-4-methoxyphenylcarbamate?
The CAS number of Tert-butyl 2-iodo-4-methoxyphenylcarbamate is 157496-75-8.
What is the molecular formula of Tert-butyl 2-iodo-4-methoxyphenylcarbamate?
The molecular formula of Tert-butyl 2-iodo-4-methoxyphenylcarbamate is C12H16INO3.
What is the molecular weight of Tert-butyl 2-iodo-4-methoxyphenylcarbamate?
The molecular weight of Tert-butyl 2-iodo-4-methoxyphenylcarbamate is 349.02 g/mol.
Where can I buy Tert-butyl 2-iodo-4-methoxyphenylcarbamate?
You can request a quote for Tert-butyl 2-iodo-4-methoxyphenylcarbamate 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-iodo-4-methoxyphenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-iodo-4-methoxyphenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.