(3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
TL;DR: (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 5596-17-8) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: zlchem 1165, Exo-N-hydroxy-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide, 7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide,N-hydroxy- (7CI,8CI)
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | -0.686 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 307.03574 |
Chemical Identifiers
| CAS Number | 5596-17-8 |
|---|---|
| SMILES | C1=C[C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)O |
Product Overview
(3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 5596-17-8), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Property Insights of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
The XLogP value of -0.686 indicates that (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione. Following Lipinski's Rule of Five, (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione has 1 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 (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The CAS number of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is 5596-17-8.
What is the molecular formula of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular formula of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is C8H7NO4.
What is the molecular weight of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular weight of (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is 181.04 g/mol.
Where can I buy (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
You can request a quote for (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,4S,7R,7aR)-2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.