Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate
TL;DR: Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 324058-29-9) is a chemical compound with molecular formula C13H13ClF3NO4 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: tert-butyl N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamate, tert-butyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate, TERT-BUTYL 5-CHLORO-2-(TRIFLUOROMETHYL)-1,3-BENZODIOXOL-2-YLCARBAMATE, Carbamic acid, [5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-, 1,1-dimethylethyl ester (9CI)
| Molecular Formula | C13H13ClF3NO4 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.852 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.04852 |
| Heavy Atoms | 22 |
| Complexity | 599.92847 |
Chemical Identifiers
| CAS Number | 324058-29-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1(OC2=C(O1)C=C(C=C2)Cl)C(F)(F)F |
Product Overview
Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate (CAS 324058-29-9), with molecular formula C13H13ClF3NO4 and molecular weight 339.05 g/mol. IUPAC: tert-butyl N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate
Property Insights of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate
The XLogP value of 3.852 indicates that Tert-butyl 5-chloro-2-(trifluoromethyl)-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-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 5-chloro-2-(trifluoromethyl)-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 Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate?
The CAS number of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate is 324058-29-9.
What is the molecular formula of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular formula of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate is C13H13ClF3NO4.
What is the molecular weight of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate?
The molecular weight of Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate is 339.05 g/mol.
Where can I buy Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate?
You can request a quote for Tert-butyl 5-chloro-2-(trifluoromethyl)-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-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.