1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
TL;DR: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) (CAS 73129-46-1) is a chemical compound with molecular formula C22H30ClFN2O7S3 and molecular weight 584.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol;methanesulfonic acid
Also Known As: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt), 2-[4-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol; methanesulfonic acid, Methanesulfonic acid--2-[4-(2-chloro-6-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (2/1), RefChem:233727
| Molecular Formula | C22H30ClFN2O7S3 |
|---|---|
| Molecular Weight | 584.09 g/mol |
| LogP | 2.8454 |
| Topological Polar Surface Area | 135.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 584.08875 |
| Heavy Atoms | 36 |
| Complexity | 1192.198 |
Chemical Identifiers
| CAS Number | 73129-46-1 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC=C4F |
Product Overview
1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) (CAS 73129-46-1), with molecular formula C22H30ClFN2O7S3 and molecular weight 584.09 g/mol. IUPAC: 2-[4-(3-chloro-10-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol;methanesulfonic acid.
Chemical Property Profile of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
Property Insights of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
The XLogP value of 2.8454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt). The TPSA of 135.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt). Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) has 3 hydrogen bond donor(s) and 8 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-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The CAS number of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is 73129-46-1.
What is the molecular formula of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The molecular formula of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is C22H30ClFN2O7S3.
What is the molecular weight of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The molecular weight of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is 584.09 g/mol.
Where can I buy 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
You can request a quote for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) 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-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.