Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)
TL;DR: Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 65293-86-9) is a chemical compound with molecular formula C28H31NO5S and molecular weight 493.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
Also Known As: Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1), Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1), 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-benzooxazole; 4-methylbenzenesulfonate, 2-(2-Ethoxybut-1-en-1-yl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzene-1-sulfonate, 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate
| Molecular Formula | C28H31NO5S |
|---|---|
| Molecular Weight | 493.19 g/mol |
| LogP | 6.09372 |
| Topological Polar Surface Area | 83.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.1923 |
| Heavy Atoms | 35 |
| Complexity | 1388.8241 |
Chemical Identifiers
| CAS Number | 65293-86-9 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CC)/OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) (CAS 65293-86-9), with molecular formula C28H31NO5S and molecular weight 493.19 g/mol. IUPAC: 2-[(E)-2-ethoxybut-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)
Property Insights of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)
The XLogP value of 6.09372 indicates that Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1). Following Lipinski's Rule of Five, Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The CAS number of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) is 65293-86-9.
What is the molecular formula of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular formula of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) is C28H31NO5S.
What is the molecular weight of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
The molecular weight of Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) is 493.19 g/mol.
Where can I buy Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
You can request a quote for Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (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, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-ethyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.