Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
TL;DR: Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 301233-31-8) is a chemical compound with molecular formula C17H22Cl3NO4 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: BAS 00217814, AF-399/33696013, tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate, (5-tert-Butyl-2-trichloromethyl-benzo[1,3]dioxol-2-yl)-carbamic acid tert-butyl, (tert-butoxy)-N-[5-(tert-butyl)-2-(trichloromethyl)benzo[d]1,3-dioxolen-2-yl]c arboxamide
| Molecular Formula | C17H22Cl3NO4 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 5.304 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 409.06143 |
| Heavy Atoms | 25 |
| Complexity | 673.9412 |
Chemical Identifiers
| CAS Number | 301233-31-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(O2)(C(Cl)(Cl)Cl)NC(=O)OC(C)(C)C |
Product Overview
Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 301233-31-8), with molecular formula C17H22Cl3NO4 and molecular weight 409.06 g/mol. IUPAC: tert-butyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
Property Insights of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
The XLogP value of 5.304 indicates that Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The CAS number of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 301233-31-8.
What is the molecular formula of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular formula of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is C17H22Cl3NO4.
What is the molecular weight of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular weight of Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 409.06 g/mol.
Where can I buy Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
You can request a quote for Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.