Setiptiline (maleate)
TL;DR: Setiptiline (maleate) (CAS 85650-57-3) is a chemical compound with molecular formula C23H23NO4 and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
Also Known As: Setiptiline (maleate), butenedioic acid; setiptiline, 2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4, But-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
| Molecular Formula | C23H23NO4 |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 3.5489 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.16272 |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 85650-57-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| InChIKey | AVPIBVPBCWBXIU-UHFFFAOYSA-N |
Product Overview
Setiptiline (maleate) (CAS 85650-57-3), with molecular formula C23H23NO4 and molecular weight 377.16 g/mol. IUPAC: but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene.
Chemical Property Profile of Setiptiline (maleate)
Property Insights of Setiptiline (maleate)
The XLogP value of 3.5489 indicates that Setiptiline (maleate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Setiptiline (maleate). Following Lipinski's Rule of Five, Setiptiline (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 Setiptiline (maleate)?
The CAS number of Setiptiline (maleate) is 85650-57-3.
What is the molecular formula of Setiptiline (maleate)?
The molecular formula of Setiptiline (maleate) is C23H23NO4.
What is the molecular weight of Setiptiline (maleate)?
The molecular weight of Setiptiline (maleate) is 377.16 g/mol.
Where can I buy Setiptiline (maleate)?
You can request a quote for Setiptiline (maleate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Setiptiline (maleate)?
Yes, KEHONG BIO provides custom synthesis services for Setiptiline (maleate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.