2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
TL;DR: 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 58722-66-0) is a chemical compound with molecular formula C20H24ClFN2O3S2 and molecular weight 458.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate, Piperazine, 1-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, 1-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine, 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H24ClFN2O3S2 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 3.9789 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.0901 |
| Heavy Atoms | 29 |
| Complexity | 971.68677 |
Chemical Identifiers
| CAS Number | 58722-66-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O |
Product Overview
2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 58722-66-0), with molecular formula C20H24ClFN2O3S2 and molecular weight 458.09 g/mol. IUPAC: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
Property Insights of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
The XLogP value of 3.9789 indicates that 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate. Following Lipinski's Rule of Five, 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The CAS number of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 58722-66-0.
What is the molecular formula of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular formula of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is C20H24ClFN2O3S2.
What is the molecular weight of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular weight of 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 458.09 g/mol.
Where can I buy 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
You can request a quote for 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-7-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.