Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate
TL;DR: Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate (CAS 1260642-67-8) is a chemical compound with molecular formula C12H13F3INO2 and molecular weight 386.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-iodo-4-(trifluoromethyl)phenyl]carbamate
Also Known As: TERT-BUTYL 2-IODO-4-(TRIFLUOROMETHYL)PHENYLCARBAMATE, tert-butyl N-[2-iodo-4-(trifluoromethyl)phenyl]carbamate, tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbama
| Molecular Formula | C12H13F3INO2 |
|---|---|
| Molecular Weight | 386.99 g/mol |
| LogP | 4.657 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.99432 |
| Heavy Atoms | 19 |
| Complexity | 480.84332 |
Chemical Identifiers
| CAS Number | 1260642-67-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)I |
Product Overview
Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate (CAS 1260642-67-8), with molecular formula C12H13F3INO2 and molecular weight 386.99 g/mol. IUPAC: tert-butyl N-[2-iodo-4-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate
Property Insights of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate
The XLogP value of 4.657 indicates that Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate 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 2-iodo-4-(trifluoromethyl)phenylcarbamate?
The CAS number of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate is 1260642-67-8.
What is the molecular formula of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate?
The molecular formula of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate is C12H13F3INO2.
What is the molecular weight of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate?
The molecular weight of Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate is 386.99 g/mol.
Where can I buy Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate?
You can request a quote for Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate 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-(trifluoromethyl)phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-iodo-4-(trifluoromethyl)phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.