碘苯腈
TL;DR: 碘苯腈 (CAS 1689-83-4) is a chemical compound with molecular formula C7H3I2NO and molecular weight 370.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘苯腈
4-hydroxy-3,5-diiodobenzonitrile
Also Known As: Ioxynil, 4-Hydroxy-3,5-diiodobenzonitrile, Actril, Bentrol, Trevespan
| Molecular Formula | C7H3I2NO |
|---|---|
| Molecular Weight | 370.83 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 370.8304 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| Melting Point | 212-213 °C |
| Boiling Point | Sublimes at circa 140 °C/0.1 mm Hg |
| Solubility | SOLUBILITY IN WATER @ 20-25 °C: 22% /LITHIUM SALT/; 14% /SODIUM SALT/; 10.7% /POTASSIUM SALT/ |
| Vapor Pressure | 0.00000014 [mmHg] |
Chemical Identifiers
| CAS Number | 1689-83-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)O)I)C#N |
| InChIKey | NRXQIUSYPAHGNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘苯腈 (CAS 1689-83-4), with molecular formula C7H3I2NO and molecular weight 370.83 g/mol. IUPAC: 4-hydroxy-3,5-diiodobenzonitrile.
Chemical Property Profile of 碘苯腈
Property Insights of 碘苯腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘苯腈. With a topological polar surface area (TPSA) of 44.0 Ų, 碘苯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘苯腈 has 1 hydrogen bond donor(s) and 2 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 碘苯腈?
The CAS number of 碘苯腈 is 1689-83-4.
What is the molecular formula of 碘苯腈?
The molecular formula of 碘苯腈 is C7H3I2NO.
What is the molecular weight of 碘苯腈?
The molecular weight of 碘苯腈 is 370.83 g/mol.
Where can I buy 碘苯腈?
You can request a quote for 碘苯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘苯腈?
Yes, KEHONG BIO provides custom synthesis services for 碘苯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.