Clorexolone
TL;DR: Clorexolone (CAS 2127-01-7) is a chemical compound with molecular formula C14H17ClN2O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide
Also Known As: Clorexolone, Chlorexolone, Clorexolon, Flonatril, Nefrolan
| Molecular Formula | C14H17ClN2O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.06485 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 2127-01-7 |
|---|---|
| SMILES | C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl |
| InChIKey | VPMWFZKOWULPGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clorexolone (CAS 2127-01-7), with molecular formula C14H17ClN2O3S and molecular weight 328.06 g/mol. IUPAC: 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide.
Chemical Property Profile of Clorexolone
Property Insights of Clorexolone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clorexolone. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Clorexolone. Following Lipinski's Rule of Five, Clorexolone has 1 hydrogen bond donor(s) and 4 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 Clorexolone?
The CAS number of Clorexolone is 2127-01-7.
What is the molecular formula of Clorexolone?
The molecular formula of Clorexolone is C14H17ClN2O3S.
What is the molecular weight of Clorexolone?
The molecular weight of Clorexolone is 328.06 g/mol.
Where can I buy Clorexolone?
You can request a quote for Clorexolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clorexolone?
Yes, KEHONG BIO provides custom synthesis services for Clorexolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.