Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate (CAS 60969-81-5) 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.
1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid, 8-chloro-2,3-dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepine dimethanesulfonate, Methanesulfonic acid--1-(8-chloro-2,3-dimethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1), RefChem:372430
| Molecular Formula | C23H33ClN2O8S3 |
|---|---|
| Molecular Weight | 596.11 g/mol |
| LogP | 3.361 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 596.10876 |
| Heavy Atoms | 37 |
| Complexity | 1235.1367 |
Chemical Identifiers
| CAS Number | 60969-81-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate (CAS 60969-81-5), with molecular formula C23H33ClN2O8S3 and molecular weight 596.11 g/mol. IUPAC: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
The XLogP value of 3.361 indicates that Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate has 2 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 Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is 60969-81-5.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is C23H33ClN2O8S3.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is 596.11 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate 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-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.