Sydnone, 4-nitro-3-(o-tolyl)-
TL;DR: Sydnone, 4-nitro-3-(o-tolyl)- (CAS 3815-78-9) is a chemical compound with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-4-nitrooxadiazol-3-ium-5-olate
Also Known As: 4-Nitro-3-(o-tolyl)sydnone, N-(o-Tolyl)-C-nitrosydnon, Sydnone, 4-nitro-3-(o-tolyl)-, N-(o-Tolyl)-C-nitrosydnon [German], Sydnone, 3-(2-methylphenyl)-4-nitro-
| Molecular Formula | C9H7N3O4 |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.04366 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 3815-78-9 |
|---|---|
| SMILES | CC1=CC=CC=C1[N+]2=NOC(=C2[N+](=O)[O-])[O-] |
| InChIKey | ZXGVQOFIHXZHTJ-UHFFFAOYSA-N |
Product Overview
Sydnone, 4-nitro-3-(o-tolyl)- (CAS 3815-78-9), with molecular formula C9H7N3O4 and molecular weight 221.04 g/mol. IUPAC: 3-(2-methylphenyl)-4-nitrooxadiazol-3-ium-5-olate.
Chemical Property Profile of Sydnone, 4-nitro-3-(o-tolyl)-
Property Insights of Sydnone, 4-nitro-3-(o-tolyl)-
The XLogP value of 3.3 indicates that Sydnone, 4-nitro-3-(o-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone, 4-nitro-3-(o-tolyl)-. Following Lipinski's Rule of Five, Sydnone, 4-nitro-3-(o-tolyl)- 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 Sydnone, 4-nitro-3-(o-tolyl)-?
The CAS number of Sydnone, 4-nitro-3-(o-tolyl)- is 3815-78-9.
What is the molecular formula of Sydnone, 4-nitro-3-(o-tolyl)-?
The molecular formula of Sydnone, 4-nitro-3-(o-tolyl)- is C9H7N3O4.
What is the molecular weight of Sydnone, 4-nitro-3-(o-tolyl)-?
The molecular weight of Sydnone, 4-nitro-3-(o-tolyl)- is 221.04 g/mol.
Where can I buy Sydnone, 4-nitro-3-(o-tolyl)-?
You can request a quote for Sydnone, 4-nitro-3-(o-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 4-nitro-3-(o-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 4-nitro-3-(o-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.