ethyl ine
TL;DR: ethyl ine (CAS 296790-47-1) is a chemical compound with molecular formula C17H19N7O5 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethoxycarbonylanilino)methyl]triazole-4-carboxylate
Also Known As: ethyl ine, ZERO/003019, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-(ethoxycarbonyl)phenyl)amino)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[4-(ethoxycarbonyl)phenyl]amino}methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethoxycarbonylanilino)methyl]triazole-4-carboxylate
| Molecular Formula | C17H19N7O5 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 1.198 |
| Topological Polar Surface Area | 160.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.14478 |
| Heavy Atoms | 29 |
| Complexity | 996.0279 |
Chemical Identifiers
| CAS Number | 296790-47-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=C(N=NN2C3=NON=C3N)C(=O)OCC |
Product Overview
ethyl ine (CAS 296790-47-1), with molecular formula C17H19N7O5 and molecular weight 401.14 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethoxycarbonylanilino)methyl]triazole-4-carboxylate.
Chemical Property Profile of ethyl ine
Property Insights of ethyl ine
The XLogP value of 1.198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl ine. The TPSA of 160.28 Ų indicates high polarity, suggesting ethyl ine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl ine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl ine?
The CAS number of ethyl ine is 296790-47-1.
What is the molecular formula of ethyl ine?
The molecular formula of ethyl ine is C17H19N7O5.
What is the molecular weight of ethyl ine?
The molecular weight of ethyl ine is 401.14 g/mol.
Where can I buy ethyl ine?
You can request a quote for ethyl ine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl ine?
Yes, KEHONG BIO provides custom synthesis services for ethyl ine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.