2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-
TL;DR: 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- (CAS 3990-41-8) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
Also Known As: 6-ethyl-[1,3]dioxolo[4,5-f]isoindole-5,7-dione, 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-, 6-Ethyl-5H-[1,3]dioxolo[4,5-f]isoindole-5,7(6H)-dione #
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 3990-41-8 |
|---|---|
| SMILES | CCN1C(=O)C2=CC3=C(C=C2C1=O)OCO3 |
| InChIKey | MZQWXCWJVDFZAT-UHFFFAOYSA-N |
Product Overview
2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- (CAS 3990-41-8), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 6-ethyl-[1,3]dioxolo[4,5-f]isoindole-5,7-dione.
Chemical Property Profile of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-
Property Insights of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- has 0 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 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-?
The CAS number of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- is 3990-41-8.
What is the molecular formula of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-?
The molecular formula of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- is C11H9NO4.
What is the molecular weight of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-?
The molecular weight of 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- is 219.05 g/mol.
Where can I buy 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-?
You can request a quote for 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobenzazole, 1,3-dioxo-2-ethyl-5,6-methylenedioxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.