benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt
TL;DR: benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt (CAS 55036-57-2) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 1-(pyridin-2-yl)-4-(3,3,3-triphenylpropyl)piperazine, 2-(2-Anilinovinyl)-3-(3-sulfonatopropyl)benzoxazolium, Benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 2-[2-(phenylamino)ethenyl]-3-(3-sulfopropyl)-, inner salt, 3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 55036-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3O2)CCCS(=O)(=O)[O-] |
| InChIKey | REGUHQHMXCRFSM-UHFFFAOYSA-N |
Product Overview
benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt (CAS 55036-57-2), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt
Property Insights of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt
The XLogP value of 3.0 indicates that benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt has 1 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 benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt?
The CAS number of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt is 55036-57-2.
What is the molecular formula of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt?
The molecular formula of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt is C18H18N2O4S.
What is the molecular weight of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt?
The molecular weight of benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt is 358.10 g/mol.
Where can I buy benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt?
You can request a quote for benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt 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-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzoxazolium, 2-(2-(phenylamino)ethenyl)-3-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.