Esonarimod
TL;DR: Esonarimod (CAS 101973-77-7) is a chemical compound with molecular formula C14H16O4S and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid
Also Known As: Esonarimod, esonarimodum, Sonatimod, Esonarimod [INN], Esonarimod KE-298
| Molecular Formula | C14H16O4S |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.07693 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 101973-77-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O |
| InChIKey | YRSSFEUQNAXQMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esonarimod (CAS 101973-77-7), with molecular formula C14H16O4S and molecular weight 280.08 g/mol. IUPAC: 2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of Esonarimod
Property Insights of Esonarimod
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esonarimod. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Esonarimod. Following Lipinski's Rule of Five, Esonarimod has 1 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 Esonarimod?
The CAS number of Esonarimod is 101973-77-7.
What is the molecular formula of Esonarimod?
The molecular formula of Esonarimod is C14H16O4S.
What is the molecular weight of Esonarimod?
The molecular weight of Esonarimod is 280.08 g/mol.
Where can I buy Esonarimod?
You can request a quote for Esonarimod directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esonarimod?
Yes, KEHONG BIO provides custom synthesis services for Esonarimod and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.