4,5-Dihydro-1H-isoindole-1,3(2H)-dione
TL;DR: 4,5-Dihydro-1H-isoindole-1,3(2H)-dione (CAS 51938-01-3) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroisoindole-1,3-dione
Also Known As: Phthalimidine, 4,5-dihydroisoindole-1,3-dione, 4,5-Dihydro-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 4,5-dihydro-, J3.045.392A
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 51938-01-3 |
|---|---|
| SMILES | C1CC2=C(C=C1)C(=O)NC2=O |
| InChIKey | AKYAMTDRHCBNQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dihydro-1H-isoindole-1,3(2H)-dione (CAS 51938-01-3), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 4,5-dihydroisoindole-1,3-dione.
Chemical Property Profile of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione
Property Insights of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 4,5-Dihydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-1H-isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 2 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 4,5-Dihydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione is 51938-01-3.
What is the molecular formula of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione is C8H7NO2.
What is the molecular weight of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 4,5-Dihydro-1H-isoindole-1,3(2H)-dione is 149.05 g/mol.
Where can I buy 4,5-Dihydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 4,5-Dihydro-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 4,5-Dihydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.