磺草酮
TL;DR: 磺草酮 (CAS 99105-77-8) is a chemical compound with molecular formula C14H13ClO5S and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺草酮
2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
Also Known As: Sulcotrione, mikado, Chlormesulon, galleon, Sulcotrione [ISO]
| Molecular Formula | C14H13ClO5S |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0172 |
| Heavy Atoms | 21 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 99105-77-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl |
| InChIKey | PQTBTIFWAXVEPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磺草酮 (CAS 99105-77-8), with molecular formula C14H13ClO5S and molecular weight 328.02 g/mol. IUPAC: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione.
Chemical Property Profile of 磺草酮
Property Insights of 磺草酮
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磺草酮. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 磺草酮. Following Lipinski's Rule of Five, 磺草酮 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
Frequently Asked Questions
What is the CAS number of 磺草酮?
The CAS number of 磺草酮 is 99105-77-8.
What is the molecular formula of 磺草酮?
The molecular formula of 磺草酮 is C14H13ClO5S.
What is the molecular weight of 磺草酮?
The molecular weight of 磺草酮 is 328.02 g/mol.
Where can I buy 磺草酮?
You can request a quote for 磺草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺草酮?
Yes, KEHONG BIO provides custom synthesis services for 磺草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.