2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione (CAS 328288-07-9) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-5-methylisoindole-1,3-dione
Also Known As: 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione, 2-(1,3-benzodioxol-5-ylmethyl)-5-methylisoindole-1,3-dione, 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-5-methylbenzo[c]azolidine-1,3-dione
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.51992 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 812.3014 |
Chemical Identifiers
| CAS Number | 328288-07-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4 |
Product Overview
2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione (CAS 328288-07-9), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-5-methylisoindole-1,3-dione.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.51992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 55.84 Ų, 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione 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-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione is 328288-07-9.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione is C17H13NO4.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione is 295.08 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.