Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
TL;DR: Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate (CAS 57536-78-4) is a chemical compound with molecular formula C22H31FN2O7S3 and molecular weight 550.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluoro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, 1-(3-fluoro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-fluoro-2-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1), RefChem:371917
| Molecular Formula | C22H31FN2O7S3 |
|---|---|
| Molecular Weight | 550.13 g/mol |
| LogP | 2.8381 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 550.12775 |
| Heavy Atoms | 35 |
| Complexity | 1169.5503 |
Chemical Identifiers
| CAS Number | 57536-78-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)OC)SC4=C2C=C(C=C4)F.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate (CAS 57536-78-4), with molecular formula C22H31FN2O7S3 and molecular weight 550.13 g/mol. IUPAC: 1-(3-fluoro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
Property Insights of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
The XLogP value of 2.8381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate 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-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The CAS number of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is 57536-78-4.
What is the molecular formula of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The molecular formula of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is C22H31FN2O7S3.
What is the molecular weight of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
The molecular weight of Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate is 550.13 g/mol.
Where can I buy Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
You can request a quote for Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(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-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(10,11-dihydro-8-fluoro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.