Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-
TL;DR: Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- (CAS 37737-59-0) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-2,3,4-trimethoxy-N-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]benzenecarboximidate
Also Known As: 3-(2-Phenylethyl)-N-(3,4,5-trimethoxybenzoyl)sydnone imine, Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-, N-exo-(3',4',5'-Trimethoxybenzoyl)-3-phenylethylsydnone imine, RefChem:1099308
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 1.6692 |
| Topological Polar Surface Area | 93.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 953.7299 |
Chemical Identifiers
| CAS Number | 37737-59-0 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C(=N/C2=C[N+](=NO2)CCC3=CC=CC=C3)/[O-])OC)OC |
Product Overview
Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- (CAS 37737-59-0), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: (1Z)-2,3,4-trimethoxy-N-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]benzenecarboximidate.
Chemical Property Profile of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-
Property Insights of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-
The XLogP value of 1.6692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-. The TPSA of 93.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-. Following Lipinski's Rule of Five, Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- has 0 hydrogen bond donor(s) and 7 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, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-?
The CAS number of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- is 37737-59-0.
What is the molecular formula of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-?
The molecular formula of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- is C20H21N3O5.
What is the molecular weight of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-?
The molecular weight of Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- is 383.15 g/mol.
Where can I buy Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-?
You can request a quote for Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, 3-(2-phenylethyl)-N-(3,4,5-trimethoxybenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.