Setipafant
TL;DR: Setipafant (CAS 132418-35-0) is a chemical compound with molecular formula C26H23ClN6O2S and molecular weight 518.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide
Also Known As: Setipafant, Setipafant [INN], setipafantum, BN 50727, BN-50727; LAU-0901
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H23ClN6O2S |
| Molecular Weight | 518.12915 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.12915 Da |
| Heavy Atoms | 36 |
| Complexity | 841.0 |
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NC5=CC=C(C=C5)OC)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | DDJKTQDAEYPACV-UHFFFAOYSA-N |
Chemical Property Profile of Setipafant
Property Insights of Setipafant
The XLogP value of 4.0 indicates that Setipafant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Setipafant. Following Lipinski's Rule of Five, Setipafant has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Setipafant?
The CAS number of Setipafant is 132418-35-0.
What is the molecular formula of Setipafant?
The molecular formula of Setipafant is C26H23ClN6O2S.
What is the molecular weight of Setipafant?
The molecular weight of Setipafant is 518.12915 g/mol.
Where can I buy Setipafant?
You can request a quote for Setipafant directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Setipafant?
Yes, CoreyChem provides custom synthesis services for Setipafant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.