Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)
TL;DR: Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) (CAS 16964-23-1) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-one
Also Known As: 11-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin-10-one maleate, DIBENZO(b,f)THIEPIN-10(11H)-ONE, 11-(4-METHYL-1-PIPERAZINYL)-, MALEATE (1:1), (Z)-but-2-enedioic acid; 6-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-one, RefChem:1083336
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.0344 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 982.9663 |
Chemical Identifiers
| CAS Number | 16964-23-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3SC4=CC=CC=C4C2=O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) (CAS 16964-23-1), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-6H-benzo[b][1]benzothiepin-5-one.
Chemical Property Profile of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)
Property Insights of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)
The XLogP value of 3.0344 indicates that Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1). Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) has 2 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 Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)?
The CAS number of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) is 16964-23-1.
What is the molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)?
The molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) is C23H24N2O5S.
What is the molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)?
The molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) is 440.14 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)?
You can request a quote for Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10(11H)-one, 11-(4-methyl-1-piperazinyl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.