2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 6401-92-9) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-(2,5-DIMETHYLPHENYL)-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.75904 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 562.41174 |
Chemical Identifiers
| CAS Number | 6401-92-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3CC=CCC3C2=O |
Product Overview
2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 6401-92-9), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.75904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-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 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 6401-92-9.
What is the molecular formula of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C16H17NO2.
What is the molecular weight of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 255.13 g/mol.
Where can I buy 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-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 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.