4-苯基-3-呋咱甲腈
TL;DR: 4-苯基-3-呋咱甲腈 (CAS 125520-62-9) is a chemical compound with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基-3-呋咱甲腈
2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile
Also Known As: Furoxan, 4-phenyl-3-furoxancarbonitrile, Furoxan, RVC-589, Lopac-P-1726, 4-Ph-3-FCN
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 125520-62-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2C#N)[O-] |
| InChIKey | PMYJGTWUVVVOFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基-3-呋咱甲腈 (CAS 125520-62-9), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile.
Chemical Property Profile of 4-苯基-3-呋咱甲腈
Property Insights of 4-苯基-3-呋咱甲腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-3-呋咱甲腈. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-苯基-3-呋咱甲腈. Following Lipinski's Rule of Five, 4-苯基-3-呋咱甲腈 has 0 hydrogen bond donor(s) and 4 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 4-苯基-3-呋咱甲腈?
The CAS number of 4-苯基-3-呋咱甲腈 is 125520-62-9.
What is the molecular formula of 4-苯基-3-呋咱甲腈?
The molecular formula of 4-苯基-3-呋咱甲腈 is C9H5N3O2.
What is the molecular weight of 4-苯基-3-呋咱甲腈?
The molecular weight of 4-苯基-3-呋咱甲腈 is 187.04 g/mol.
Where can I buy 4-苯基-3-呋咱甲腈?
You can request a quote for 4-苯基-3-呋咱甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-3-呋咱甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-3-呋咱甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.