Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) (CAS 63467-99-2) is a chemical compound with molecular formula C23H23NO4S and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
Also Known As: Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1), Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1), 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate, 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzene-1-sulfonate, RefChem:118740
| Molecular Formula | C23H23NO4S |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.61474 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.13477 |
| Heavy Atoms | 29 |
| Complexity | 1211.2202 |
Chemical Identifiers
| CAS Number | 63467-99-2 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) (CAS 63467-99-2), with molecular formula C23H23NO4S and molecular weight 409.13 g/mol. IUPAC: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 4.61474 indicates that Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) 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 Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) is 63467-99-2.
What is the molecular formula of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) is C23H23NO4S.
What is the molecular weight of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) is 409.13 g/mol.
Where can I buy Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.