Setipafant
TL;DR: Setipafant (CAS 132418-35-0) is a chemical compound with molecular formula C26H23ClN6O2S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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; LAU-0901, J1.637.321D
| Molecular Formula | C26H23ClN6O2S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.12915 |
| Heavy Atoms | 36 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 132418-35-0 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Setipafant (CAS 132418-35-0), with molecular formula C26H23ClN6O2S and molecular weight 518.13 g/mol. IUPAC: 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.
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
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 518.13 g/mol.
Where can I buy Setipafant?
You can request a quote for Setipafant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Setipafant?
Yes, KEHONG BIO provides custom synthesis services for Setipafant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.