![1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine structure](/static/products/588/58868-87-4.png)
1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
TL;DR: 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (CAS 58868-87-4) is a chemical compound with molecular formula C19H22N2O3S2 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: AE-641/30116015, 10-piperazino-8-10,11-dihydrodibenzo[b,f]thiepin5-oxide, 10-Piperazino-8- -10,11-dihydrodibenzo[b,f]thiepin5-oxide, 10-Piperazino-8-(methylsulfonyl)-10,11-dihydrodibenzo[b,f]thiepin 5-oxide, 1-[8-(methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
| Molecular Formula | C19H22N2O3S2 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 1.7592 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.10718 |
| Heavy Atoms | 26 |
| Complexity | 966.4996 |
Chemical Identifiers
| CAS Number | 58868-87-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCNCC4 |
Product Overview
1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (CAS 58868-87-4), with molecular formula C19H22N2O3S2 and molecular weight 390.11 g/mol. IUPAC: 3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
Property Insights of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
The XLogP value of 1.7592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine. Following Lipinski's Rule of Five, 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine has 1 hydrogen bond donor(s) and 5 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 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine?
The CAS number of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine is 58868-87-4.
What is the molecular formula of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine?
The molecular formula of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine is C19H22N2O3S2.
What is the molecular weight of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine?
The molecular weight of 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine is 390.11 g/mol.
Where can I buy 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine?
You can request a quote for 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[8-(Methylsulfonyl)-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.