Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate
TL;DR: Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate (CAS 98216-16-1) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(6-acetyl-1,3-benzodioxol-5-yl)carbamate
Also Known As: ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate, ethyl N-(6-acetyl-1,3-benzodioxol-5-yl)carbamate, (6-Acetylbenzo[1,3]dioxol-5-yl)carbamic acid, ethyl ester, A3137/0132634, ETHYL N-(6-ACETYL-2H-1,3-BENZODIOXOL-5-YL)CARBAMATE
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 98216-16-1 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2 |
| InChIKey | UNKSPLWFAUWNAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate (CAS 98216-16-1), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: ethyl N-(6-acetyl-1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate
Property Insights of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate. Following Lipinski's Rule of Five, Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate has 1 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 Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate?
The CAS number of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate is 98216-16-1.
What is the molecular formula of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate?
The molecular formula of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate is C12H13NO5.
What is the molecular weight of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate?
The molecular weight of Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate is 251.08 g/mol.
Where can I buy Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate?
You can request a quote for Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (6-acetyl-1,3-benzodioxol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.