![Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate structure](/static/products/3216/321679-64-5.webp)
Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate
TL;DR: Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate (CAS 321679-64-5) is a chemical compound with molecular formula C19H18Cl3NO4 and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: BAS 00246887, F1023-0022, phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate, phenyl N-[5-tert-butyl-2-(trichloromethyl)-2H-1,3-benzodioxol-2-yl]carbamate, phenyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
| Molecular Formula | C19H18Cl3NO4 |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 5.5679 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.03015 |
| Heavy Atoms | 27 |
| Complexity | 846.2687 |
Chemical Identifiers
| CAS Number | 321679-64-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(O2)(C(Cl)(Cl)Cl)NC(=O)OC3=CC=CC=C3 |
Product Overview
Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate (CAS 321679-64-5), with molecular formula C19H18Cl3NO4 and molecular weight 429.03 g/mol. IUPAC: phenyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate
Property Insights of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate
The XLogP value of 5.5679 indicates that Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate 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 Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate?
The CAS number of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate is 321679-64-5.
What is the molecular formula of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate?
The molecular formula of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate is C19H18Cl3NO4.
What is the molecular weight of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate?
The molecular weight of Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate is 429.03 g/mol.
Where can I buy Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate?
You can request a quote for Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (5-(tert-butyl)-2-(trichloromethyl)benzo[d][1,3]dioxol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.