3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one
TL;DR: 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one (CAS 15218-07-2) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
Also Known As: 3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one, AN-975/13811032, 1H-3-Benzazepin-1-one, 2,3,4,5-tetrahydro-3-(p-tolylsulfonyl)-, 1H-3-Benzazepin-1-one,2,3,4,5-tetrahydro-3-[(4-methylphenyl)sulfonyl]-, 2,3,4,5-Tetrahydro-3-[(4-methylphenyl)sulfonyl]-1H-3-benzazepin-1-one
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 15218-07-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=O)C2 |
| InChIKey | LHSCRVKJECEXST-UHFFFAOYSA-N |
Product Overview
3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one (CAS 15218-07-2), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one.
Chemical Property Profile of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one
Property Insights of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one
The XLogP value of 3.0 indicates that 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one. Following Lipinski's Rule of Five, 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one has 0 hydrogen bond donor(s) and 4 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 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one?
The CAS number of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one is 15218-07-2.
What is the molecular formula of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one?
The molecular formula of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one is C17H17NO3S.
What is the molecular weight of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one?
The molecular weight of 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one is 315.09 g/mol.
Where can I buy 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one?
You can request a quote for 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.