1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
TL;DR: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) (CAS 81223-37-2) is a chemical compound with molecular formula C23H33ClN2O8S3 and molecular weight 596.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-10-methoxy-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-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt), 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin, 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol,methanesulfonic acid, 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol; methanesulfonic acid, Methanesulfonic acid--2-[4-(2-chloro-6-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (2/1)
| Molecular Formula | C23H33ClN2O8S3 |
|---|---|
| Molecular Weight | 596.11 g/mol |
| LogP | 2.7149 |
| Topological Polar Surface Area | 144.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 596.10876 |
| Heavy Atoms | 37 |
| Complexity | 1204.6327 |
Chemical Identifiers
| CAS Number | 81223-37-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1SC3=C(CC2N4CCN(CC4)CCO)C=C(C=C3)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) (CAS 81223-37-2), with molecular formula C23H33ClN2O8S3 and molecular weight 596.11 g/mol. IUPAC: 2-[4-(3-chloro-10-methoxy-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-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
Property Insights of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
The XLogP value of 2.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt). The TPSA of 144.68 Ų indicates high polarity, suggesting 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) has 3 hydrogen bond donor(s) and 9 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-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The CAS number of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is 81223-37-2.
What is the molecular formula of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The molecular formula of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is C23H33ClN2O8S3.
What is the molecular weight of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
The molecular weight of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) is 596.11 g/mol.
Where can I buy 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
You can request a quote for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(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-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.