Ammonium cumenesulfonate (mixed isomers)
TL;DR: Ammonium cumenesulfonate (mixed isomers) (CAS 37475-88-0) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-propan-2-ylbenzenesulfonate
Also Known As: Ammonium cumenesulfonate, Ammonium cumenesulphonate, ammonium O-cumenesulfonate, CYCLOPHIL AC60, ELTESOL AC60
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 2.0903 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 37475-88-0 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[NH4+] |
| InChIKey | LUAVFCBYZUMYCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium cumenesulfonate (mixed isomers) (CAS 37475-88-0), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: azanium 2-propan-2-ylbenzenesulfonate.
Chemical Property Profile of Ammonium cumenesulfonate (mixed isomers)
Property Insights of Ammonium cumenesulfonate (mixed isomers)
The XLogP value of 2.0903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium cumenesulfonate (mixed isomers). The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium cumenesulfonate (mixed isomers). Following Lipinski's Rule of Five, Ammonium cumenesulfonate (mixed isomers) has 1 hydrogen bond donor(s) and 3 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 Ammonium cumenesulfonate (mixed isomers)?
The CAS number of Ammonium cumenesulfonate (mixed isomers) is 37475-88-0.
What is the molecular formula of Ammonium cumenesulfonate (mixed isomers)?
The molecular formula of Ammonium cumenesulfonate (mixed isomers) is C9H15NO3S.
What is the molecular weight of Ammonium cumenesulfonate (mixed isomers)?
The molecular weight of Ammonium cumenesulfonate (mixed isomers) is 217.08 g/mol.
Where can I buy Ammonium cumenesulfonate (mixed isomers)?
You can request a quote for Ammonium cumenesulfonate (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium cumenesulfonate (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium cumenesulfonate (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.