![tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate structure](/static/products/3044/304444-68-6.webp)
tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
TL;DR: tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate (CAS 304444-68-6) is a chemical compound with molecular formula C13H14Cl3NO4 and molecular weight 353.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Also Known As: tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate, AF-399/32357031, Carbamic acid, [2-(trichloromethyl)-1,3-benzodioxol-2-yl]-, 1,1-dimethylethyl ester (9CI), tert-butyl 2-(trichloromethyl)-1,3-benzodioxol-2-ylcarbamate, Carbamicacid,[2- -1,3-benzodioxol-2-yl]-,1,1-dimethylethylester
| Molecular Formula | C13H14Cl3NO4 |
|---|---|
| Molecular Weight | 353.00 g/mol |
| LogP | 4.0065 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.99884 |
| Heavy Atoms | 21 |
| Complexity | 526.08276 |
Chemical Identifiers
| CAS Number | 304444-68-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1(OC2=CC=CC=C2O1)C(Cl)(Cl)Cl |
Product Overview
tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate (CAS 304444-68-6), with molecular formula C13H14Cl3NO4 and molecular weight 353.00 g/mol. IUPAC: tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate.
Chemical Property Profile of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
Property Insights of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate
The XLogP value of 4.0065 indicates that tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-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, tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate 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 N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate?
The CAS number of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate is 304444-68-6.
What is the molecular formula of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate?
The molecular formula of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate is C13H14Cl3NO4.
What is the molecular weight of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate?
The molecular weight of tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate is 353.00 g/mol.
Where can I buy tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate?
You can request a quote for tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-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 tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.