benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt
TL;DR: benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt (CAS 68083-28-3) is a chemical compound with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(N-acetylanilino)ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate
Also Known As: 2-[2- vinyl]-3-ethyl-5-sulphonatobenzoxazolium, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5-sulfo-, inner salt, Anhydro-2-(2-(N-acetanilido)vinyl)-3-ethyl-5-sulfobenzoxazolium hydroxide, Benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt, 2-[2-(acetylphenylamino)vinyl]-3-ethyl-5-sulphonatobenzoxazolium
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 68083-28-3 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=CN(C3=CC=CC=C3)C(=O)C |
| InChIKey | JHQQVABRANWCLG-UHFFFAOYSA-N |
Product Overview
benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt (CAS 68083-28-3), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: 2-[2-(N-acetylanilino)ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate.
Chemical Property Profile of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt
Property Insights of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt. Following Lipinski's Rule of Five, benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt has 0 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-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt?
The CAS number of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt is 68083-28-3.
What is the molecular formula of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt?
The molecular formula of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt is C19H18N2O5S.
What is the molecular weight of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt?
The molecular weight of benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt is 386.09 g/mol.
Where can I buy benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt?
You can request a quote for benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, 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-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzoxazolium, 2-(2-(acetylphenylamino)ethenyl)-3-ethyl-5-sulfo-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.