2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
TL;DR: 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate (CAS 5334-84-9) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Also Known As: 1,3-Benzodioxol-4-ol, 2-tert-butyl-2-methyl-, acetylmethylcarbamate, 2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl acetyl(methyl)carbamate, Acetylmethylcarbamic acid 2-(1,1-dimethylethyl)-2-methyl-1,3-benzodioxol-4-yl ester, Carbamic acid, acetylmethyl-, 2-(1,1-dimethylethyl)-2-methyl-1,3-benzodioxol-4-yl ester, (2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 5334-84-9 |
|---|---|
| SMILES | CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C(C)(C)C |
| InChIKey | WQHPLOJGHXJQEE-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate (CAS 5334-84-9), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: (2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate.
Chemical Property Profile of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
Property Insights of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
The XLogP value of 3.0 indicates that 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate. Following Lipinski's Rule of Five, 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate has 0 hydrogen bond donor(s) and 5 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 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The CAS number of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is 5334-84-9.
What is the molecular formula of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The molecular formula of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is C16H21NO5.
What is the molecular weight of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The molecular weight of 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is 307.14 g/mol.
Where can I buy 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
You can request a quote for 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.