Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide
TL;DR: Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide (CAS 41931-96-8) is a chemical compound with molecular formula C19H22N2O2S2 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide, Piperazine, 1-(10,11-dihydro-8-(methylsulfinyl)-5-oxo-dibenzo(b,f)thiepin-10-yl)-, 10,11-Dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)dibenzo[b,f]thiepin 5-oxide, 3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, 2-(Methanesulfinyl)-11-(piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one
| Molecular Formula | C19H22N2O2S2 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 2.0931 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.11227 |
| Heavy Atoms | 25 |
| Complexity | 847.06775 |
Chemical Identifiers
| CAS Number | 41931-96-8 |
|---|---|
| SMILES | CS(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCNCC4 |
Product Overview
Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide (CAS 41931-96-8), with molecular formula C19H22N2O2S2 and molecular weight 374.11 g/mol. IUPAC: 3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide
Property Insights of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide
The XLogP value of 2.0931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide. With a topological polar surface area (TPSA) of 49.41 Ų, Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide has 1 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 Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide?
The CAS number of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide is 41931-96-8.
What is the molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide?
The molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide is C19H22N2O2S2.
What is the molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide?
The molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide is 374.11 g/mol.
Where can I buy Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide?
You can request a quote for Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin, 10,11-dihydro-8-(methylsulfinyl)-10-(1-piperazinyl)-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.