Israpafant
TL;DR: Israpafant (CAS 117279-73-9) is a chemical compound with molecular formula C28H29ClN4S and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Also Known As: Israpafant, Pafnol, Israpafant [INN], Israpafant?, (+/-)-israpafant
| Molecular Formula | C28H29ClN4S |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.18015 |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 117279-73-9 |
|---|---|
| SMILES | CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C |
| InChIKey | RMSWMRJVUJSDGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Israpafant (CAS 117279-73-9), with molecular formula C28H29ClN4S and molecular weight 488.18 g/mol. IUPAC: 7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
Chemical Property Profile of Israpafant
Property Insights of Israpafant
The XLogP value of 7.5 indicates that Israpafant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Israpafant. Following Lipinski's Rule of Five, Israpafant has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Israpafant?
The CAS number of Israpafant is 117279-73-9.
What is the molecular formula of Israpafant?
The molecular formula of Israpafant is C28H29ClN4S.
What is the molecular weight of Israpafant?
The molecular weight of Israpafant is 488.18 g/mol.
Where can I buy Israpafant?
You can request a quote for Israpafant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Israpafant?
Yes, KEHONG BIO provides custom synthesis services for Israpafant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.