ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate
TL;DR: ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate (CAS 68571-75-5) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate
Also Known As: ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate, 3-Cyan-3-phenyl-pentan-dicarbonsaeure-(1,5)-diaethylester, N-(4-cyano-3-methyl-isoxazol-5-yl)-formimidic acid ethyl ester
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.551 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 348.76138 |
Chemical Identifiers
| CAS Number | 68571-75-5 |
|---|---|
| SMILES | CCO/C=N/C1=C(C(=NO1)C)C#N |
Product Overview
ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate (CAS 68571-75-5), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate.
Chemical Property Profile of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate
Property Insights of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate
The XLogP value of 1.551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate. Following Lipinski's Rule of Five, ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate 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 ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate?
The CAS number of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate is 68571-75-5.
What is the molecular formula of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate?
The molecular formula of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate is C8H9N3O2.
What is the molecular weight of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate?
The molecular weight of ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate is 179.07 g/mol.
Where can I buy ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate?
You can request a quote for ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1E)-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)methanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.