Octometothepin maleate
TL;DR: Octometothepin maleate (CAS 19728-87-1) is a chemical compound with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Octometothepin maleate, 8-Methoxyperathiepin maleate, Piperazine, 1-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), 1-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, Dibenzo(b,f)thiepin, 10,11-dihydro-8-methoxy-10-(4-methylpiperazino)-, maleate
| Molecular Formula | C24H28N2O5S |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 3.4028 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1719 |
| Heavy Atoms | 32 |
| Complexity | 970.1049 |
Chemical Identifiers
| CAS Number | 19728-87-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC.C(=C\C(=O)O)\C(=O)O |
Product Overview
Octometothepin maleate (CAS 19728-87-1), with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of Octometothepin maleate
Property Insights of Octometothepin maleate
The XLogP value of 3.4028 indicates that Octometothepin maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Octometothepin maleate. Following Lipinski's Rule of Five, Octometothepin maleate 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 Octometothepin maleate?
The CAS number of Octometothepin maleate is 19728-87-1.
What is the molecular formula of Octometothepin maleate?
The molecular formula of Octometothepin maleate is C24H28N2O5S.
What is the molecular weight of Octometothepin maleate?
The molecular weight of Octometothepin maleate is 456.17 g/mol.
Where can I buy Octometothepin maleate?
You can request a quote for Octometothepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octometothepin maleate?
Yes, KEHONG BIO provides custom synthesis services for Octometothepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.