Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-
TL;DR: Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- (CAS 26960-66-7) is a chemical compound with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-yl]ethanimidate
Also Known As: Structure contains charged carbon atom(s)!, N-Acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)sydnone imine, Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-, N-exo-Acetyl-3-(3',4'-dimethoxyphenylethyl)sydnone imine, n-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-yl}ethanimidate
| Molecular Formula | C14H17N3O4 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 0.6322 |
| Topological Polar Surface Area | 83.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.12192 |
| Heavy Atoms | 21 |
| Complexity | 632.8994 |
Chemical Identifiers
| CAS Number | 26960-66-7 |
|---|---|
| SMILES | C/C(=N\C1=C[N+](=NO1)CCC2=CC(=C(C=C2)OC)OC)/[O-] |
Product Overview
Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- (CAS 26960-66-7), with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol. IUPAC: (1E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-yl]ethanimidate.
Chemical Property Profile of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-
Property Insights of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-
The XLogP value of 0.6322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-. The TPSA of 83.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-. Following Lipinski's Rule of Five, Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- has 0 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 Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-?
The CAS number of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- is 26960-66-7.
What is the molecular formula of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-?
The molecular formula of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- is C14H17N3O4.
What is the molecular weight of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-?
The molecular weight of Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- is 291.12 g/mol.
Where can I buy Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-?
You can request a quote for Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, N-acetyl-3-(2-(3,4-dimethoxyphenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.