![Sydnone, 3-[3-(trifluoromethyl)phenyl]- structure](/static/products/2653/26537-62-2.webp)
Sydnone, 3-[3-(trifluoromethyl)phenyl]-
TL;DR: Sydnone, 3-[3-(trifluoromethyl)phenyl]- (CAS 26537-62-2) is a chemical compound with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenyl]oxadiazol-3-ium-5-olate
Also Known As: 3-[3- phenyl]sydnone, Sydnone, 3-[3-(trifluoromethyl)phenyl]-, 3-[3-(Trifluoromethyl)phenyl]sydnone, Sydnone,.alpha.,.alpha.-trifluoro-m-tolyl)-, 3-[3-(trifluoromethyl)phenyl]oxadiazol-3-ium-5-olate
| Molecular Formula | C9H5F3N2O2 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.03032 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 26537-62-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+]2=NOC(=C2)[O-])C(F)(F)F |
| InChIKey | JJYUHHXTXJWKHP-UHFFFAOYSA-N |
Product Overview
Sydnone, 3-[3-(trifluoromethyl)phenyl]- (CAS 26537-62-2), with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]oxadiazol-3-ium-5-olate.
Chemical Property Profile of Sydnone, 3-[3-(trifluoromethyl)phenyl]-
Property Insights of Sydnone, 3-[3-(trifluoromethyl)phenyl]-
The XLogP value of 3.7 indicates that Sydnone, 3-[3-(trifluoromethyl)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, 3-[3-(trifluoromethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sydnone, 3-[3-(trifluoromethyl)phenyl]- 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, 3-[3-(trifluoromethyl)phenyl]-?
The CAS number of Sydnone, 3-[3-(trifluoromethyl)phenyl]- is 26537-62-2.
What is the molecular formula of Sydnone, 3-[3-(trifluoromethyl)phenyl]-?
The molecular formula of Sydnone, 3-[3-(trifluoromethyl)phenyl]- is C9H5F3N2O2.
What is the molecular weight of Sydnone, 3-[3-(trifluoromethyl)phenyl]-?
The molecular weight of Sydnone, 3-[3-(trifluoromethyl)phenyl]- is 230.03 g/mol.
Where can I buy Sydnone, 3-[3-(trifluoromethyl)phenyl]-?
You can request a quote for Sydnone, 3-[3-(trifluoromethyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 3-[3-(trifluoromethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 3-[3-(trifluoromethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.