11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate
TL;DR: 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate (CAS 16946-50-2) is a chemical compound with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol
Also Known As: 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, maleate (1:1), 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-10-ol maleate, (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol, DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-11-(4-METHYL-1-PIPERAZINYL)-, MALEATE (
| Molecular Formula | C23H26N2O5S |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 2.4982 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.15625 |
| Heavy Atoms | 31 |
| Complexity | 955.9441 |
Chemical Identifiers
| CAS Number | 16946-50-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2(CC3=CC=CC=C3SC4=CC=CC=C42)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate (CAS 16946-50-2), with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-ol.
Chemical Property Profile of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate
Property Insights of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate
The XLogP value of 2.4982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate. Following Lipinski's Rule of Five, 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate?
The CAS number of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate is 16946-50-2.
What is the molecular formula of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate?
The molecular formula of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate is C23H26N2O5S.
What is the molecular weight of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate?
The molecular weight of 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate is 442.16 g/mol.
Where can I buy 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate?
You can request a quote for 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-ol maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.