7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
TL;DR: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one (CAS 50998-75-9) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
Also Known As: AN-975/13808007, 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one, 7,8-dimethoxy-1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one, 1,2,3,4-tetrahydro-7,8-dimethoxy-1-p-tosyl-5H-1-benzazepin-5-one, 7,8-Dimethoxy-1-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 50998-75-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=CC(=C(C=C32)OC)OC |
| InChIKey | INHDQBAQIAULRS-UHFFFAOYSA-N |
Product Overview
7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one (CAS 50998-75-9), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one.
Chemical Property Profile of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
Property Insights of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one. Following Lipinski's Rule of Five, 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one has 0 hydrogen bond donor(s) and 6 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 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The CAS number of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one is 50998-75-9.
What is the molecular formula of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The molecular formula of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one is C19H21NO5S.
What is the molecular weight of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The molecular weight of 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one is 375.11 g/mol.
Where can I buy 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
You can request a quote for 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.