![3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate structure](/static/products/1628/162846-08-4.webp)
3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate
TL;DR: 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate (CAS 162846-08-4) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-2-anilinoethenyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: BAS 00263070, 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate, 3-[2-[(E)-2-anilinoethenyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate, 3-{2-[(E)-2-(phenylamino)ethenyl]naphtho[1,2-d][1,3]oxazol-1-ium-1-yl}propane-1-sulfonate
| Molecular Formula | C22H20N2O4S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.8916 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11438 |
| Heavy Atoms | 29 |
| Complexity | 1278.4202 |
Chemical Identifiers
| CAS Number | 162846-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/C=C/C2=[N+](C3=C(O2)C=CC4=CC=CC=C43)CCCS(=O)(=O)[O-] |
Product Overview
3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate (CAS 162846-08-4), with molecular formula C22H20N2O4S and molecular weight 408.11 g/mol. IUPAC: 3-[2-[(E)-2-anilinoethenyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate
Property Insights of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate
The XLogP value of 3.8916 indicates that 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate. Following Lipinski's Rule of Five, 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate 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 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate?
The CAS number of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate is 162846-08-4.
What is the molecular formula of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate?
The molecular formula of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate is C22H20N2O4S.
What is the molecular weight of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate?
The molecular weight of 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate is 408.11 g/mol.
Where can I buy 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate?
You can request a quote for 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2-Anilinovinyl)naphtho[1,2-d][1,3]oxazol-1-ium-1-yl]-1-propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.