1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)
TL;DR: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) (CAS 74667-72-4) is a chemical compound with molecular formula C24H36N2O9S4 and molecular weight 624.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1), Methanesulfonic acid--3-{4-[8-(methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propan-1-ol (2/1), methanesulfonic acid; 3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, RefChem:234053
| Molecular Formula | C24H36N2O9S4 |
|---|---|
| Molecular Weight | 624.13 g/mol |
| LogP | 1.8465 |
| Topological Polar Surface Area | 169.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.1304 |
| Heavy Atoms | 39 |
| Complexity | 1375.2458 |
Chemical Identifiers
| CAS Number | 74667-72-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) (CAS 74667-72-4), with molecular formula C24H36N2O9S4 and molecular weight 624.13 g/mol. IUPAC: methanesulfonic acid;3-[4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)
Property Insights of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)
The XLogP value of 1.8465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1). The TPSA of 169.59 Ų indicates high polarity, suggesting 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) has 3 hydrogen bond donor(s) and 10 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-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)?
The CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) is 74667-72-4.
What is the molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)?
The molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) is C24H36N2O9S4.
What is the molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)?
The molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) is 624.13 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)?
You can request a quote for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, 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-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.