1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate
TL;DR: 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate (CAS 70932-17-1) is a chemical compound with molecular formula C23H36FN3O10S4 and molecular weight 661.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
Also Known As: 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate, 2-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; methanesulfonic acid, Methanesulfonic acid--2-[4-(8-amino-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (3/1), RefChem:1056586
| Molecular Formula | C23H36FN3O10S4 |
|---|---|
| Molecular Weight | 661.13 g/mol |
| LogP | 1.2782 |
| Topological Polar Surface Area | 215.84 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 661.1268 |
| Heavy Atoms | 41 |
| Complexity | 1369.1713 |
Chemical Identifiers
| CAS Number | 70932-17-1 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)N |
Product Overview
1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate (CAS 70932-17-1), with molecular formula C23H36FN3O10S4 and molecular weight 661.13 g/mol. IUPAC: 2-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid.
Chemical Property Profile of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate
Property Insights of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate
The XLogP value of 1.2782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate. The TPSA of 215.84 Ų indicates high polarity, suggesting 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate?
The CAS number of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate is 70932-17-1.
What is the molecular formula of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate?
The molecular formula of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate is C23H36FN3O10S4.
What is the molecular weight of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate?
The molecular weight of 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate is 661.13 g/mol.
Where can I buy 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate?
You can request a quote for 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(8-amino-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, trimethanesulfonate, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.