硝碘酚腈
TL;DR: 硝碘酚腈 (CAS 1689-89-0) is a chemical compound with molecular formula C7H3IN2O3 and molecular weight 289.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝碘酚腈
4-hydroxy-3-iodo-5-nitrobenzonitrile
Also Known As: Nitroxynil, Nitroxinil, 4-Hydroxy-3-iodo-5-nitrobenzonitrile, Dovenix, Nitroxinilo
| Molecular Formula | C7H3IN2O3 |
|---|---|
| Molecular Weight | 289.92 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.91885 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 1689-89-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N |
| InChIKey | SGKGVABHDAQAJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝碘酚腈 (CAS 1689-89-0), with molecular formula C7H3IN2O3 and molecular weight 289.92 g/mol. IUPAC: 4-hydroxy-3-iodo-5-nitrobenzonitrile.
Chemical Property Profile of 硝碘酚腈
Property Insights of 硝碘酚腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝碘酚腈. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝碘酚腈. Following Lipinski's Rule of Five, 硝碘酚腈 has 1 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 硝碘酚腈?
The CAS number of 硝碘酚腈 is 1689-89-0.
What is the molecular formula of 硝碘酚腈?
The molecular formula of 硝碘酚腈 is C7H3IN2O3.
What is the molecular weight of 硝碘酚腈?
The molecular weight of 硝碘酚腈 is 289.92 g/mol.
Where can I buy 硝碘酚腈?
You can request a quote for 硝碘酚腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝碘酚腈?
Yes, KEHONG BIO provides custom synthesis services for 硝碘酚腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.