1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)
TL;DR: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) (CAS 41932-06-3) is a chemical compound with molecular formula C22H30Cl2N2O2S2 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1), 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol dihydrochloride, 3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}propan-1-ol--hydrogen chloride (1/2), RefChem:234056
| Molecular Formula | C22H30Cl2N2O2S2 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 5.0131 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11258 |
| Heavy Atoms | 30 |
| Complexity | 832.53485 |
Chemical Identifiers
| CAS Number | 41932-06-3 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-].Cl.Cl |
Product Overview
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) (CAS 41932-06-3), with molecular formula C22H30Cl2N2O2S2 and molecular weight 488.11 g/mol. IUPAC: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride.
Chemical Property Profile of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)
Property Insights of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)
The XLogP value of 5.0131 indicates that 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)?
The CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) is 41932-06-3.
What is the molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)?
The molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) is C22H30Cl2N2O2S2.
What is the molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)?
The molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) is 488.11 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)?
You can request a quote for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) 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-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.