3-Fluoro-octoclothepin maleate
TL;DR: 3-Fluoro-octoclothepin maleate (CAS 56097-15-5) is a chemical compound with molecular formula C23H24ClFN2O4S and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 3-Fluoro-octoclothepin maleate, 1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, Piperazine, 1-(8-chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, Piperazine, 1-(8-chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H24ClFN2O4S |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 4.1867 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.11295 |
| Heavy Atoms | 32 |
| Complexity | 1009.05115 |
Chemical Identifiers
| CAS Number | 56097-15-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
3-Fluoro-octoclothepin maleate (CAS 56097-15-5), with molecular formula C23H24ClFN2O4S and molecular weight 478.11 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of 3-Fluoro-octoclothepin maleate
Property Insights of 3-Fluoro-octoclothepin maleate
The XLogP value of 4.1867 indicates that 3-Fluoro-octoclothepin 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 3-Fluoro-octoclothepin maleate. Following Lipinski's Rule of Five, 3-Fluoro-octoclothepin 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 3-Fluoro-octoclothepin maleate?
The CAS number of 3-Fluoro-octoclothepin maleate is 56097-15-5.
What is the molecular formula of 3-Fluoro-octoclothepin maleate?
The molecular formula of 3-Fluoro-octoclothepin maleate is C23H24ClFN2O4S.
What is the molecular weight of 3-Fluoro-octoclothepin maleate?
The molecular weight of 3-Fluoro-octoclothepin maleate is 478.11 g/mol.
Where can I buy 3-Fluoro-octoclothepin maleate?
You can request a quote for 3-Fluoro-octoclothepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-octoclothepin maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-octoclothepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.