Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) (CAS 56096-64-1) is a chemical compound with molecular formula C22H31ClN2O7S3 and molecular weight 566.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1), 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-2-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1), RefChem:372431
| Molecular Formula | C22H31ClN2O7S3 |
|---|---|
| Molecular Weight | 566.10 g/mol |
| LogP | 3.3524 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 566.0982 |
| Heavy Atoms | 35 |
| Complexity | 1169.5503 |
Chemical Identifiers
| CAS Number | 56096-64-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)OC)SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) (CAS 56096-64-1), with molecular formula C22H31ClN2O7S3 and molecular weight 566.10 g/mol. IUPAC: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)
The XLogP value of 3.3524 indicates that Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1). Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) has 2 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 Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) is 56096-64-1.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) is C22H31ClN2O7S3.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) is 566.10 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, 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 Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.