10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)
TL;DR: 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) (CAS 61015-01-8) is a chemical compound with molecular formula C24H35ClN2O6S3 and molecular weight 578.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;methanesulfonic acid
Also Known As: 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate), Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(1,1-dimethylethyl)-, dimethanesulfonate, 1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid, Methanesulfonic acid--1-tert-butyl-4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine (2/1), RefChem:372436
| Molecular Formula | C24H35ClN2O6S3 |
|---|---|
| Molecular Weight | 578.13 g/mol |
| LogP | 4.5125 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 578.1346 |
| Heavy Atoms | 36 |
| Complexity | 1192.7384 |
Chemical Identifiers
| CAS Number | 61015-01-8 |
|---|---|
| SMILES | CC(C)(C)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) (CAS 61015-01-8), with molecular formula C24H35ClN2O6S3 and molecular weight 578.13 g/mol. IUPAC: 1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;methanesulfonic acid.
Chemical Property Profile of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)
Property Insights of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)
The XLogP value of 4.5125 indicates that 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate). Following Lipinski's Rule of Five, 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) 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 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)?
The CAS number of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) is 61015-01-8.
What is the molecular formula of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)?
The molecular formula of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) is C24H35ClN2O6S3.
What is the molecular weight of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)?
The molecular weight of 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) is 578.13 g/mol.
Where can I buy 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)?
You can request a quote for 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-tert-Butylpiperazino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.