Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
TL;DR: Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 321679-62-3) is a chemical compound with molecular formula C15H8Cl5NO4 and molecular weight 440.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: PHENYL 5,6-DICHLORO-2-(TRICHLOROMETHYL)-1,3-BENZODIOXOL-2-YLCARBAMATE, phenyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate, Phenyl N-[5,6-dichloro-2-(trichloromethyl)benzo[1,3]dioxol-2-yl]carbamate, Carbamic acid, [5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-, phenyl ester, N-[5,6-dichloro-2-(trichloromethyl)benzo[d]1,3-dioxolen-2-yl]phenoxycarboxamid e
| Molecular Formula | C15H8Cl5NO4 |
|---|---|
| Molecular Weight | 440.89 g/mol |
| LogP | 5.5772 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.8896 |
| Heavy Atoms | 25 |
| Complexity | 778.55927 |
Chemical Identifiers
| CAS Number | 321679-62-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2(OC3=CC(=C(C=C3O2)Cl)Cl)C(Cl)(Cl)Cl |
Product Overview
Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 321679-62-3), with molecular formula C15H8Cl5NO4 and molecular weight 440.89 g/mol. IUPAC: phenyl N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
Property Insights of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate
The XLogP value of 5.5772 indicates that Phenyl 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, Phenyl 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, Phenyl 5,6-dichloro-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 Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The CAS number of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 321679-62-3.
What is the molecular formula of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular formula of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is C15H8Cl5NO4.
What is the molecular weight of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular weight of Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate is 440.89 g/mol.
Where can I buy Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
You can request a quote for Phenyl 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 Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.