Sydnone, 3-propyl-
TL;DR: Sydnone, 3-propyl- (CAS 6939-15-7) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyloxadiazol-3-ium-5-olate
Also Known As: 3-Propylsydnone, Sydnone, 3-propyl-, 3-propyloxadiazol-3-ium-5-olate, 3-propyl-1,2,3-oxadiazol-3-ium-5-olate, 3-propyl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 6939-15-7 |
|---|---|
| SMILES | CCC[N+]1=NOC(=C1)[O-] |
| InChIKey | XAZYOVBOFGJZAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sydnone, 3-propyl- (CAS 6939-15-7), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: 3-propyloxadiazol-3-ium-5-olate.
Chemical Property Profile of Sydnone, 3-propyl-
Property Insights of Sydnone, 3-propyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone, 3-propyl-. With a topological polar surface area (TPSA) of 53.0 Ų, Sydnone, 3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sydnone, 3-propyl- 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, 3-propyl-?
The CAS number of Sydnone, 3-propyl- is 6939-15-7.
What is the molecular formula of Sydnone, 3-propyl-?
The molecular formula of Sydnone, 3-propyl- is C5H8N2O2.
What is the molecular weight of Sydnone, 3-propyl-?
The molecular weight of Sydnone, 3-propyl- is 128.06 g/mol.
Where can I buy Sydnone, 3-propyl-?
You can request a quote for Sydnone, 3-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 3-propyl-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.