Esuprone
TL;DR: Esuprone (CAS 91406-11-0) is a chemical compound with molecular formula C13H14O5S and molecular weight 282.05618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
Also Known As: Esuprone, Esuprona, Esupronum, Esuprone [INN], Esuprona [Spanish]
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14O5S |
| Molecular Weight | 282.05618 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.05618 Da |
| Heavy Atoms | 19 |
| Complexity | 500.0 |
| SMILES | CCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C |
| InChIKey | CHDGAVDQRSPBTA-UHFFFAOYSA-N |
Chemical Property Profile of Esuprone
Property Insights of Esuprone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esuprone. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Esuprone. Following Lipinski's Rule of Five, Esuprone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Esuprone?
The CAS number of Esuprone is 91406-11-0.
What is the molecular formula of Esuprone?
The molecular formula of Esuprone is C13H14O5S.
What is the molecular weight of Esuprone?
The molecular weight of Esuprone is 282.05618 g/mol.
Where can I buy Esuprone?
You can request a quote for Esuprone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Esuprone?
Yes, CoreyChem provides custom synthesis services for Esuprone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.