8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O
TL;DR: 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O (CAS 60969-87-1) is a chemical compound with molecular formula C19H23Br2ClN2O2S and molecular weight 535.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide
Also Known As: 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O, Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-8-chloro-10-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (1:2:2), 8-Chloro-10-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2,3-diol--hydrogen bromide (1/2), 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrobromide, RefChem:337183
| Molecular Formula | C19H23Br2ClN2O2S |
|---|---|
| Molecular Weight | 535.95 g/mol |
| LogP | 4.9028 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 535.95355 |
| Heavy Atoms | 27 |
| Complexity | 816.5369 |
Chemical Identifiers
| CAS Number | 60969-87-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)O)O.Br.Br |
Product Overview
8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O (CAS 60969-87-1), with molecular formula C19H23Br2ClN2O2S and molecular weight 535.95 g/mol. IUPAC: 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide.
Chemical Property Profile of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O
Property Insights of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O
The XLogP value of 4.9028 indicates that 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O has 2 hydrogen bond donor(s) and 5 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-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O?
The CAS number of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O is 60969-87-1.
What is the molecular formula of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O?
The molecular formula of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O is C19H23Br2ClN2O2S.
What is the molecular weight of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O?
The molecular weight of 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O is 535.95 g/mol.
Where can I buy 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O?
You can request a quote for 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-2,3-dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HBr 2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.