2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate
TL;DR: 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate (CAS 80709-35-9) is a chemical compound with molecular formula C24H28BrFN2O5S and molecular weight 554.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-bromo-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;butanedioic acid
Also Known As: 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate, 1-Piperazineethanol, 4-(8-bromo-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-, butanedioate (1:1), 2-[4-(3-bromo-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; butanedioic acid, Butanedioic acid--2-[4-(8-bromo-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethan-1-ol (1/1), RefChem:233849
| Molecular Formula | C24H28BrFN2O5S |
|---|---|
| Molecular Weight | 554.09 g/mol |
| LogP | 3.8823 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.0886 |
| Heavy Atoms | 34 |
| Complexity | 1002.85297 |
Chemical Identifiers
| CAS Number | 80709-35-9 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)Br.C(CC(=O)O)C(=O)O |
Product Overview
2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate (CAS 80709-35-9), with molecular formula C24H28BrFN2O5S and molecular weight 554.09 g/mol. IUPAC: 2-[4-(3-bromo-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;butanedioic acid.
Chemical Property Profile of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate
Property Insights of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate
The XLogP value of 3.8823 indicates that 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate. Following Lipinski's Rule of Five, 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate?
The CAS number of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate is 80709-35-9.
What is the molecular formula of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate?
The molecular formula of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate is C24H28BrFN2O5S.
What is the molecular weight of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate?
The molecular weight of 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate is 554.09 g/mol.
Where can I buy 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate?
You can request a quote for 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-7-fluoro-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.