6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate
TL;DR: 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate (CAS 43040-50-2) is a chemical compound with molecular formula C26H27N3O8S and molecular weight 541.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine
Also Known As: 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate, (1)Benzothiepino(2,3-b)pyridine, 6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2), 6-(4-Methyl-1-piperazinyl)(1)benzothiepino(2,3-b)pyridine dimaleate, (1)BENZOTHIEPINO(2,3-b)PYRIDINE, 6-(4-METHYL-1-PIPERAZINYL)-, (Z)-2-BUTENEDIOATE, (Z)-but-2-enedioic acid; 6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine
| Molecular Formula | C26H27N3O8S |
|---|---|
| Molecular Weight | 541.15 g/mol |
| LogP | 2.7153 |
| Topological Polar Surface Area | 168.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1519 |
| Heavy Atoms | 38 |
| Complexity | 1184.5593 |
Chemical Identifiers
| CAS Number | 43040-50-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(SC4=CC=CC=C24)N=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate (CAS 43040-50-2), with molecular formula C26H27N3O8S and molecular weight 541.15 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-[1]benzothiepino[2,3-b]pyridine.
Chemical Property Profile of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate
Property Insights of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate
The XLogP value of 2.7153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate. The TPSA of 168.57 Ų indicates high polarity, suggesting 6-(4-Methylpiperazino)benzo(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)benzo(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)benzo(b)pyrido(3,2-f)thiepin dimaleate?
The CAS number of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate is 43040-50-2.
What is the molecular formula of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate?
The molecular formula of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate is C26H27N3O8S.
What is the molecular weight of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate?
The molecular weight of 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate is 541.15 g/mol.
Where can I buy 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate?
You can request a quote for 6-(4-Methylpiperazino)benzo(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)benzo(b)pyrido(3,2-f)thiepin dimaleate?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methylpiperazino)benzo(b)pyrido(3,2-f)thiepin dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.