Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride
TL;DR: Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride (CAS 440-38-0) is a chemical compound with molecular formula C12H16ClN3O3 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine chloride
Also Known As: 3-(2-(3,4-Dimethoxyphenyl)ethyl)sydnone imine monohydrochloride, Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride, 5-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium chloride, 5-Amino-3-(3,4-dimethoxyphenethyl)-1,2,3-oxadiazol-3-ium chloride, Sydnone imine,3-(2-(4-methoxyphenyl)ethyl)-,monohydrochloride
| Molecular Formula | C12H16ClN3O3 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | -2.1918 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.088 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 440-38-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)N)OC.[Cl-] |
| InChIKey | IFXCFKKPCYIYIU-UHFFFAOYSA-M |
Product Overview
Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride (CAS 440-38-0), with molecular formula C12H16ClN3O3 and molecular weight 285.09 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine chloride.
Chemical Property Profile of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride
Property Insights of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride
The XLogP value of -2.1918 indicates that Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride has 1 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, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride?
The CAS number of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride is 440-38-0.
What is the molecular formula of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride?
The molecular formula of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride is C12H16ClN3O3.
What is the molecular weight of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride?
The molecular weight of Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride is 285.09 g/mol.
Where can I buy Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride?
You can request a quote for Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride 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-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, 3-(2-(3,4-dimethoxyphenyl)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.