2-Hydroxysorbinil
TL;DR: 2-Hydroxysorbinil (CAS 104029-13-2) is a chemical compound with molecular formula C11H9FN2O4 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-2-hydroxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Also Known As: 2-Hydroxysorbinil, 2-HO-Sorbinil, 6-fluoro-2-hydroxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione, 2-Hydroxy-6-fluorospiro[chroman-4,4'-imidazolidine]2',5'-dione, 6-Fluoro-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazole]-2,2',5'-triol
| Molecular Formula | C11H9FN2O4 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.05464 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 104029-13-2 |
|---|---|
| SMILES | C1C(OC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F)O |
| InChIKey | SSCUVWXLQOWZAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxysorbinil (CAS 104029-13-2), with molecular formula C11H9FN2O4 and molecular weight 252.05 g/mol. IUPAC: 6-fluoro-2-hydroxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of 2-Hydroxysorbinil
Property Insights of 2-Hydroxysorbinil
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxysorbinil. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxysorbinil. Following Lipinski's Rule of Five, 2-Hydroxysorbinil has 3 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 2-Hydroxysorbinil?
The CAS number of 2-Hydroxysorbinil is 104029-13-2.
What is the molecular formula of 2-Hydroxysorbinil?
The molecular formula of 2-Hydroxysorbinil is C11H9FN2O4.
What is the molecular weight of 2-Hydroxysorbinil?
The molecular weight of 2-Hydroxysorbinil is 252.05 g/mol.
Where can I buy 2-Hydroxysorbinil?
You can request a quote for 2-Hydroxysorbinil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxysorbinil?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxysorbinil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.