6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate
TL;DR: 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate (CAS 51724-03-9) is a chemical compound with molecular formula C26H28ClN3O8S and molecular weight 577.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine
Also Known As: 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate, (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-8-chloro-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2), (1)BENZOTHIEPINO(2,3-b)PYRIDINE, 5,6-DIHYDRO-8-CHLORO-6-(4-METHYL-1-PIPERAZINYL), (Z)-but-2-enedioic acid; 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine, RefChem:1049155
| Molecular Formula | C26H28ClN3O8S |
|---|---|
| Molecular Weight | 577.13 g/mol |
| LogP | 3.1544 |
| Topological Polar Surface Area | 168.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.12854 |
| Heavy Atoms | 39 |
| Complexity | 1179.4585 |
Chemical Identifiers
| CAS Number | 51724-03-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SC4=C(C2)C=CC=N4)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate (CAS 51724-03-9), with molecular formula C26H28ClN3O8S and molecular weight 577.13 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine.
Chemical Property Profile of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate
Property Insights of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate
The XLogP value of 3.1544 indicates that 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.57 Ų indicates high polarity, suggesting 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate?
The CAS number of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate is 51724-03-9.
What is the molecular formula of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate?
The molecular formula of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate is C26H28ClN3O8S.
What is the molecular weight of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate?
The molecular weight of 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate is 577.13 g/mol.
Where can I buy 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate?
You can request a quote for 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methylpiperazino)-8-chloro-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.