4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
TL;DR: 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate (CAS 5765-48-0) 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.
4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
Also Known As: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate, 4-(2-ethyl-1,2-oxazol-5-yl)benzenesulfonate
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.1581 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 613.1759 |
Chemical Identifiers
| CAS Number | 5765-48-0 |
|---|---|
| SMILES | CC[N+]1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)[O-] |
Product Overview
4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate (CAS 5765-48-0), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate.
Chemical Property Profile of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
Property Insights of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
The XLogP value of 1.1581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate. The TPSA of 74.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate. Following Lipinski's Rule of Five, 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate has 0 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 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate?
The CAS number of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate is 5765-48-0.
What is the molecular formula of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate?
The molecular formula of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate is C11H11NO4S.
What is the molecular weight of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate?
The molecular weight of 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate is 253.04 g/mol.
Where can I buy 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate?
You can request a quote for 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.