Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)
TL;DR: Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) (CAS 67800-93-5) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)ethenyl]aniline;ethyl sulfate
Also Known As: 2-(beta-Anilinovinyl)-3-ethylnaphth(2,1-d)oxaxolium ethosulfate, Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate, Naphth[2,1-d]oxazolium, 3-ethyl-2-[2-(phenylamino)ethenyl]-, ethyl sulfate, Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1), Ethyl 3-ethyl-2-[2-(phenylamino)vinyl]naphth[1,2-d]oxazolium sulphate
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 4.46 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 67800-93-5 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C3=CC=CC=C3C=C2)C=CNC4=CC=CC=C4.CCOS(=O)(=O)[O-] |
| InChIKey | XBMRNPLHQZRVFS-UHFFFAOYSA-N |
Product Overview
Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) (CAS 67800-93-5), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: N-[2-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)ethenyl]aniline;ethyl sulfate.
Chemical Property Profile of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)
Property Insights of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)
The XLogP value of 4.46 indicates that Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) has 1 hydrogen bond donor(s) and 6 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 Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)?
The CAS number of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) is 67800-93-5.
What is the molecular formula of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)?
The molecular formula of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) is C23H24N2O5S.
What is the molecular weight of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)?
The molecular weight of Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) is 440.14 g/mol.
Where can I buy Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)?
You can request a quote for Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Naphth(2,1-d)oxazolium, 3-ethyl-2-(2-(phenylamino)ethenyl)-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.