![5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium structure](/static/products/6945/6945-18-2.webp)
5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium
TL;DR: 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium (CAS 6945-18-2) is a chemical compound with molecular formula C17H16N3O3+ and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3,4-diphenyloxadiazol-3-ium-5-yl)carbamate
Also Known As: NCIOpen2_007888, ethyl N-(3,4-diphenyloxadiazol-3-ium-5-yl)carbamate, 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium, ETHYL N-(3,4-DIPHENYL-1-OXA-2-AZA-3-AZONIACYCLOPENTA-2,4-DIEN-5-YL)CARBAMATE
| Molecular Formula | C17H16N3O3+ |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.11917 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 6945-18-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C([N+](=NO1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | PMGNKYHPWFUPNW-UHFFFAOYSA-O |
Product Overview
5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium (CAS 6945-18-2), with molecular formula C17H16N3O3+ and molecular weight 310.12 g/mol. IUPAC: ethyl N-(3,4-diphenyloxadiazol-3-ium-5-yl)carbamate.
Chemical Property Profile of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium
Property Insights of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium
The XLogP value of 4.1 indicates that 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium. Following Lipinski's Rule of Five, 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium has 1 hydrogen bond donor(s) and 4 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 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium?
The CAS number of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium is 6945-18-2.
What is the molecular formula of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium?
The molecular formula of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium is C17H16N3O3+.
What is the molecular weight of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium?
The molecular weight of 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium is 310.12 g/mol.
Where can I buy 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium?
You can request a quote for 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Ethoxycarbonyl)amino]-3,4-diphenyl-1,2,3-oxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.