5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride
TL;DR: 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride (CAS 52813-92-0) is a chemical compound with molecular formula C21H27ClN2O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethylsulfonyl-11-methylbenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine;hydrochloride
Also Known As: 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride, 10-(2-(Dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-5H-dibenz(b,f)azepine hydrochloride, Ethylsulfonyl-8 trimethyl-N,N,5 5H-dibenz(b,f)azepine-10-ethanamine [French], 2-Aethylsulfonyl-5-methyl-11-(beta-dimethylaminoaethyl)-(5H)-dibenzo(b,f)azepin hydrochlorid, 2-Ethylsulfonyl-5-methyl-11-(beta-dimethylaminoethyl)-(5H)-dibenzo(b,f)azepine hydrochloride
| Molecular Formula | C21H27ClN2O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.4756 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14816 |
| Heavy Atoms | 27 |
| Complexity | 952.404 |
Chemical Identifiers
| CAS Number | 52813-92-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2CCN(C)C)C.Cl |
Product Overview
5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride (CAS 52813-92-0), with molecular formula C21H27ClN2O2S and molecular weight 406.15 g/mol. IUPAC: 2-(3-ethylsulfonyl-11-methylbenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride
Property Insights of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride
The XLogP value of 4.4756 indicates that 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride 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 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride?
The CAS number of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride is 52813-92-0.
What is the molecular formula of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride?
The molecular formula of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride is C21H27ClN2O2S.
What is the molecular weight of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride?
The molecular weight of 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride is 406.15 g/mol.
Where can I buy 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride?
You can request a quote for 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-8-(ethylsulfonyl)-5-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.