8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate
TL;DR: 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate (CAS 61014-94-6) is a chemical compound with molecular formula C23H33ClN2O6S3 and molecular weight 564.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine;methanesulfonic acid
Also Known As: 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(1-methylethyl)-, dimethanesulfonate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(propan-2-yl)piperazine (2/1), RefChem:372437
| Molecular Formula | C23H33ClN2O6S3 |
|---|---|
| Molecular Weight | 564.12 g/mol |
| LogP | 4.1224 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 564.11896 |
| Heavy Atoms | 35 |
| Complexity | 1151.4874 |
Chemical Identifiers
| CAS Number | 61014-94-6 |
|---|---|
| SMILES | CC(C)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate (CAS 61014-94-6), with molecular formula C23H33ClN2O6S3 and molecular weight 564.12 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine;methanesulfonic acid.
Chemical Property Profile of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate
Property Insights of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate
The XLogP value of 4.1224 indicates that 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate 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 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate. Following Lipinski's Rule of Five, 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate 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 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate?
The CAS number of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate is 61014-94-6.
What is the molecular formula of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate?
The molecular formula of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate is C23H33ClN2O6S3.
What is the molecular weight of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate?
The molecular weight of 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate is 564.12 g/mol.
Where can I buy 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate?
You can request a quote for 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.