3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
TL;DR: 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 73195-20-7) is a chemical compound with molecular formula C21H29FN2O6S3 and molecular weight 520.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate, 1-(10,11-Dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimethanesulfonate, Piperazine, 1-(10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, 1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)
| Molecular Formula | C21H29FN2O6S3 |
|---|---|
| Molecular Weight | 520.12 g/mol |
| LogP | 2.8295 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 520.1172 |
| Heavy Atoms | 33 |
| Complexity | 1104.34 |
Chemical Identifiers
| CAS Number | 73195-20-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 73195-20-7), with molecular formula C21H29FN2O6S3 and molecular weight 520.12 g/mol. IUPAC: 1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
Property Insights of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
The XLogP value of 2.8295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate. Following Lipinski's Rule of Five, 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The CAS number of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 73195-20-7.
What is the molecular formula of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular formula of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is C21H29FN2O6S3.
What is the molecular weight of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular weight of 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 520.12 g/mol.
Where can I buy 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
You can request a quote for 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.