1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
TL;DR: 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (CAS 41931-93-5) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine, Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methyl-, 10,11-Dihydro-8-(methylsulfinyl)-10-(4-methyl-1-piperazinyl)dibenzo[b,f]thiepin 5-oxide, 5-(4-methylpiperazin-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, 2-(Methanesulfinyl)-11-(4-methylpiperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 2.4353 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 875.8649 |
Chemical Identifiers
| CAS Number | 41931-93-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)C |
Product Overview
1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine (CAS 41931-93-5), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
Property Insights of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
The XLogP value of 2.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine 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 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine?
The CAS number of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine is 41931-93-5.
What is the molecular formula of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine?
The molecular formula of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine is C20H24N2O2S2.
What is the molecular weight of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine?
The molecular weight of 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine is 388.13 g/mol.
Where can I buy 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine?
You can request a quote for 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(10,11-Dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.