4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide
TL;DR: 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide (CAS 74667-82-6) is a chemical compound with molecular formula C22H28N2O4S2 and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol
Also Known As: 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, 1-Piperazinepropanol,4-(10,11-dihydro-8- dibenzo -,1-oxide, 3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol, 3-{4-[8-(Methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}propan-1-ol
| Molecular Formula | C22H28N2O4S2 |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 2.8511 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.14905 |
| Heavy Atoms | 30 |
| Complexity | 1017.54767 |
Chemical Identifiers
| CAS Number | 74667-82-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-] |
Product Overview
4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide (CAS 74667-82-6), with molecular formula C22H28N2O4S2 and molecular weight 448.15 g/mol. IUPAC: 3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol.
Chemical Property Profile of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide
Property Insights of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide. Following Lipinski's Rule of Five, 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide has 1 hydrogen bond donor(s) and 6 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 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide?
The CAS number of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide is 74667-82-6.
What is the molecular formula of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide?
The molecular formula of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide is C22H28N2O4S2.
What is the molecular weight of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide?
The molecular weight of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide is 448.15 g/mol.
Where can I buy 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide?
You can request a quote for 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.