Fluothepin maleate
TL;DR: Fluothepin maleate (CAS 19939-33-4) is a chemical compound with molecular formula C23H25FN2O4S and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Fluothepin maleate, VUFB6.271, 8-Fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-8-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), Dibenzo(b,f)thiepin, 10,11-dihydro-8-fluoro-10-(4-methylpiperazino)-, hydrogen maleate
| Molecular Formula | C23H25FN2O4S |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 3.5333 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.15192 |
| Heavy Atoms | 31 |
| Complexity | 957.7989 |
Chemical Identifiers
| CAS Number | 19939-33-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4F.C(=C\C(=O)O)\C(=O)O |
Product Overview
Fluothepin maleate (CAS 19939-33-4), with molecular formula C23H25FN2O4S and molecular weight 444.15 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of Fluothepin maleate
Property Insights of Fluothepin maleate
The XLogP value of 3.5333 indicates that Fluothepin maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluothepin maleate. Following Lipinski's Rule of Five, Fluothepin maleate has 2 hydrogen bond donor(s) and 5 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 Fluothepin maleate?
The CAS number of Fluothepin maleate is 19939-33-4.
What is the molecular formula of Fluothepin maleate?
The molecular formula of Fluothepin maleate is C23H25FN2O4S.
What is the molecular weight of Fluothepin maleate?
The molecular weight of Fluothepin maleate is 444.15 g/mol.
Where can I buy Fluothepin maleate?
You can request a quote for Fluothepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluothepin maleate?
Yes, KEHONG BIO provides custom synthesis services for Fluothepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.