2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 444336-46-3) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.5908 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 661.75397 |
Chemical Identifiers
| CAS Number | 444336-46-3 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)C |
Product Overview
2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 444336-46-3), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.5908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-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 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 444336-46-3.
What is the molecular formula of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C17H17NO3.
What is the molecular weight of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 283.12 g/mol.
Where can I buy 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(3-Acetylphenyl)-4-methyl-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 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.