1H-Isoindole-1,3(2H)-dione, hexahydro-
TL;DR: 1H-Isoindole-1,3(2H)-dione, hexahydro- (CAS 1444-94-6) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 1,2-Cyclohexanedicarboximide, Hexahydrophthalimide, cis-Hexahydrophthalimide, PHTHALIMIDE, 1H-Isoindole-1,3(2H)-dione, hexahydro-
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1444-94-6 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)NC2=O |
| InChIKey | WLDMPODMCFGWAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Isoindole-1,3(2H)-dione, hexahydro- (CAS 1444-94-6), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, hexahydro-
Property Insights of 1H-Isoindole-1,3(2H)-dione, hexahydro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, hexahydro-. With a topological polar surface area (TPSA) of 46.2 Ų, 1H-Isoindole-1,3(2H)-dione, hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, hexahydro- 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 1H-Isoindole-1,3(2H)-dione, hexahydro-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, hexahydro- is 1444-94-6.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, hexahydro-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, hexahydro- is C8H11NO2.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, hexahydro-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, hexahydro- is 153.08 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, hexahydro-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.