Sydnone, 4-methyl-3-phenyl-
TL;DR: Sydnone, 4-methyl-3-phenyl- (CAS 3483-16-7) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-phenyl-1,2,5-oxadiazol-5-ium-3-olate
Also Known As: 4-Methyl-3-phenylsydnone, Sydnone, 4-methyl-3-phenyl-, N-(Phenyl)-C-(methyl)-sydnon, 4-methyl-3-phenyl-sydnone, N-(Phenyl)-C-(methyl)-sydnon [German]
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 3483-16-7 |
|---|---|
| SMILES | CC1=[N+](ON=C1[O-])C2=CC=CC=C2 |
| InChIKey | GRNLCHMFCSMWBO-UHFFFAOYSA-N |
Product Overview
Sydnone, 4-methyl-3-phenyl- (CAS 3483-16-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 4-methyl-5-phenyl-1,2,5-oxadiazol-5-ium-3-olate.
Chemical Property Profile of Sydnone, 4-methyl-3-phenyl-
Property Insights of Sydnone, 4-methyl-3-phenyl-
The XLogP value of 3.1 indicates that Sydnone, 4-methyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Sydnone, 4-methyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sydnone, 4-methyl-3-phenyl- has 0 hydrogen bond donor(s) and 3 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, 4-methyl-3-phenyl-?
The CAS number of Sydnone, 4-methyl-3-phenyl- is 3483-16-7.
What is the molecular formula of Sydnone, 4-methyl-3-phenyl-?
The molecular formula of Sydnone, 4-methyl-3-phenyl- is C9H8N2O2.
What is the molecular weight of Sydnone, 4-methyl-3-phenyl-?
The molecular weight of Sydnone, 4-methyl-3-phenyl- is 176.06 g/mol.
Where can I buy Sydnone, 4-methyl-3-phenyl-?
You can request a quote for Sydnone, 4-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 4-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 4-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.