![3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate structure](/static/products/1533/153322-50-0.webp)
3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate
TL;DR: 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate (CAS 153322-50-0) is a chemical compound with molecular formula C21H21NO6S and molecular weight 415.10895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] acetate
Also Known As: 3-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate, [4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzaz, [4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] acetate, 4,5-diacetoxy-3-(toluene-4-sulfonyl)-2,3-dihydro-1H-benzo[d]azepine, 1H-3-Benzazepine-4,5-diol,2,3-dihydro-3-[(4-methylphenyl)sulfonyl]-, 4,5-diacetate
Technical Specifications
| Molecular Formula | C21H21NO6S |
| Molecular Weight | 415.10895 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10895 Da |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=C2OC(=O)C)OC(=O)C |
| InChIKey | VADAFVGKOVVSJY-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate
Property Insights of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate
The XLogP value of 3.0 indicates that 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate?
The CAS number of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate is 153322-50-0.
What is the molecular formula of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate?
The molecular formula of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate is C21H21NO6S.
What is the molecular weight of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate?
The molecular weight of 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate is 415.10895 g/mol.
Where can I buy 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate?
You can request a quote for 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-3-benzazepine-4,5-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.