(3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
TL;DR: (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 10039-57-3) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: J1.285.571K, (1beta,4beta)-N-Phenyl-7-oxabicyclo[2.2.1]hepta-5-ene-2beta,3beta-dicarbimide, 3-acetyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide, (1R,2S,6R,7S)-4-phenyl-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, (1R,2S,6R,7S)-4-Phenyl-10-oxa-4-azatricyclo[5.2.1.02,6]deca-8-ene-3,5-dione
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 10039-57-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4 |
| InChIKey | PUHQMJSQZPUXJP-BKUVIOGVSA-N |
Product Overview
(3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione (CAS 10039-57-3), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Property Insights of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione. With a topological polar surface area (TPSA) of 46.6 Ų, (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione has 0 hydrogen bond donor(s) and 3 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,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The CAS number of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is 10039-57-3.
What is the molecular formula of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular formula of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is C14H11NO3.
What is the molecular weight of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
The molecular weight of (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione is 241.07 g/mol.
Where can I buy (3aS,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
You can request a quote for (3aS,4R,7S,7aR)-2-phenyl-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,4R,7S,7aR)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,4R,7S,7aR)-2-phenyl-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.