Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
TL;DR: Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 321944-19-8) is a chemical compound with molecular formula C11H8Cl5NO4 and molecular weight 392.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate, AE-848/34330038, ethyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate, ETHYL N-[5,6-DICHLORO-2-(TRICHLOROMETHYL)-2H-1,3-BENZODIOXOL-2-YL]CARBAMATE
| Molecular Formula | C11H8Cl5NO4 |
|---|---|
| Molecular Weight | 392.89 g/mol |
| LogP | 4.5347 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.8896 |
| Heavy Atoms | 21 |
| Complexity | 543.4674 |
Chemical Identifiers
| CAS Number | 321944-19-8 |
|---|---|
| SMILES | CCOC(=O)NC1(OC2=CC(=C(C=C2O1)Cl)Cl)C(Cl)(Cl)Cl |
Product Overview
Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 321944-19-8), with molecular formula C11H8Cl5NO4 and molecular weight 392.89 g/mol. IUPAC: ethyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
Property Insights of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
The XLogP value of 4.5347 indicates that Ethyl 5,6-dichloro-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, Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate has 1 hydrogen bond donor(s) and 4 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 Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The CAS number of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 321944-19-8.
What is the molecular formula of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular formula of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is C11H8Cl5NO4.
What is the molecular weight of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular weight of Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 392.89 g/mol.
Where can I buy Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
You can request a quote for Ethyl 5,6-dichloro-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 Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.