3-Ethyl-2-methyl-5-sulphonatobenzoxazolium
TL;DR: 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium (CAS 63148-99-2) is a chemical compound with molecular formula C10H11NO4S and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate
Also Known As: 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium, Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt, 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate, 3-Ethyl-2-methylbenzoxazol-3-ium-5-sulfonate, Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, hydroxide, inner salt
| Molecular Formula | C10H11NO4S |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.04088 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 63148-99-2 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C |
| InChIKey | ALUDXYYRAJGCDC-UHFFFAOYSA-N |
Product Overview
3-Ethyl-2-methyl-5-sulphonatobenzoxazolium (CAS 63148-99-2), with molecular formula C10H11NO4S and molecular weight 241.04 g/mol. IUPAC: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate.
Chemical Property Profile of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium
Property Insights of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium. Following Lipinski's Rule of Five, 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium 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 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium?
The CAS number of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium is 63148-99-2.
What is the molecular formula of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium?
The molecular formula of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium is C10H11NO4S.
What is the molecular weight of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium?
The molecular weight of 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium is 241.04 g/mol.
Where can I buy 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium?
You can request a quote for 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-methyl-5-sulphonatobenzoxazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.