![tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate structure](/static/products/3337/333749-47-6.webp)
tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate
TL;DR: tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate (CAS 333749-47-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate, tert-butyl N-(1,3-benzodioxol-5-yl)carbamate, BAS 02973453, J1.911.673E, t-butyl N-(3,4-methylenedioxyphenyl)carbamate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 333749-47-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | TYFVHGAGTYKGHD-UHFFFAOYSA-N |
Product Overview
tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate (CAS 333749-47-6), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: tert-butyl N-(1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate
Property Insights of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl benzo[d][1,3]dioxol-5-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 benzo[d][1,3]dioxol-5-ylcarbamate?
The CAS number of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate is 333749-47-6.
What is the molecular formula of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate?
The molecular formula of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate is C12H15NO4.
What is the molecular weight of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate?
The molecular weight of tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate is 237.10 g/mol.
Where can I buy tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate?
You can request a quote for tert-Butyl benzo[d][1,3]dioxol-5-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 benzo[d][1,3]dioxol-5-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl benzo[d][1,3]dioxol-5-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.