1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide
TL;DR: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide (CAS 74667-83-7) is a chemical compound with molecular formula C22H28N2O5S2 and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide, 1-Piperazinepropanol,4-[10,11-dihydro-8-(methylsulfonyl)-5-oxidodibenzo[b,f]thiepin-10-yl]-, 1-oxide, 1-(3-hydroxypropyl)-4-{6-methanesulfonyl-2-oxido-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ium-9-yl}piperazin-1-ium-1-olate, 10-[[4-(3-Hydroxypropyl)piperazine 4-oxide]-1-yl]-8-(methylsulfonyl)-10,11-dihydrodibenzo[b,f]thiepin 5-oxide, 11-[4-(3-Hydroxypropyl)-4-oxo-4lambda~5~-piperazin-1-yl]-2-(methanesulfonyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one
| Molecular Formula | C22H28N2O5S2 |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 1.8666 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.14395 |
| Heavy Atoms | 31 |
| Complexity | 1094.8302 |
Chemical Identifiers
| CAS Number | 74667-83-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-] |
Product Overview
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide (CAS 74667-83-7), with molecular formula C22H28N2O5S2 and molecular weight 464.14 g/mol. IUPAC: 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol.
Chemical Property Profile of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide
Property Insights of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide
The XLogP value of 1.8666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide 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 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide?
The CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide is 74667-83-7.
What is the molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide?
The molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide is C22H28N2O5S2.
What is the molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide?
The molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide is 464.14 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide?
You can request a quote for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.