8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
TL;DR: 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one (CAS 29247-82-3) is a chemical compound with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
Also Known As: 1,4-Dihydrobenzoesaeure-ethylester, 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one, 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzaze, 3H-1-Benzazepin-3-one,2,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-, 3H-1-Benzazepin-3-one,8-chloro-1,2,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-
| Molecular Formula | C17H16ClNO3S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.05396 |
| Heavy Atoms | 23 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 29247-82-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)CCC3=C2C=C(C=C3)Cl |
| InChIKey | IXDHOVRVVYQZLL-UHFFFAOYSA-N |
Product Overview
8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one (CAS 29247-82-3), with molecular formula C17H16ClNO3S and molecular weight 349.05 g/mol. IUPAC: 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one.
Chemical Property Profile of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
Property Insights of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
The XLogP value of 3.4 indicates that 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-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 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one. Following Lipinski's Rule of Five, 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-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 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one?
The CAS number of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one is 29247-82-3.
What is the molecular formula of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one?
The molecular formula of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one is C17H16ClNO3S.
What is the molecular weight of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one?
The molecular weight of 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one is 349.05 g/mol.
Where can I buy 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one?
You can request a quote for 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.