(3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 20141-47-3) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aR)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, (3aS,7aR)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, (3aR,7aS)-2-Phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-, cis-, Rel-(3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 20141-47-3 |
|---|---|
| SMILES | C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3 |
| InChIKey | QJDASFMHCXUEQK-TXEJJXNPSA-N |
Product Overview
(3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 20141-47-3), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: (3aS,7aR)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has 0 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 (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 20141-47-3.
What is the molecular formula of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C14H13NO2.
What is the molecular weight of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 227.09 g/mol.
Where can I buy (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-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 (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,7aS)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.