Phenyl 3,5-dimethyl-4-isoxazolesulfonate
TL;DR: Phenyl 3,5-dimethyl-4-isoxazolesulfonate (CAS 86945-35-9) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate
Also Known As: Phenyl 3,5-dimethyl-4-isoxazolesulfonate, phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate, RefChem:369640
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 2.05914 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 596.6759 |
Chemical Identifiers
| CAS Number | 86945-35-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 3,5-dimethyl-4-isoxazolesulfonate (CAS 86945-35-9), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate.
Chemical Property Profile of Phenyl 3,5-dimethyl-4-isoxazolesulfonate
Property Insights of Phenyl 3,5-dimethyl-4-isoxazolesulfonate
The XLogP value of 2.05914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3,5-dimethyl-4-isoxazolesulfonate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 3,5-dimethyl-4-isoxazolesulfonate. Following Lipinski's Rule of Five, Phenyl 3,5-dimethyl-4-isoxazolesulfonate 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 Phenyl 3,5-dimethyl-4-isoxazolesulfonate?
The CAS number of Phenyl 3,5-dimethyl-4-isoxazolesulfonate is 86945-35-9.
What is the molecular formula of Phenyl 3,5-dimethyl-4-isoxazolesulfonate?
The molecular formula of Phenyl 3,5-dimethyl-4-isoxazolesulfonate is C11H11NO4S.
What is the molecular weight of Phenyl 3,5-dimethyl-4-isoxazolesulfonate?
The molecular weight of Phenyl 3,5-dimethyl-4-isoxazolesulfonate is 253.04 g/mol.
Where can I buy Phenyl 3,5-dimethyl-4-isoxazolesulfonate?
You can request a quote for Phenyl 3,5-dimethyl-4-isoxazolesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3,5-dimethyl-4-isoxazolesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3,5-dimethyl-4-isoxazolesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.