alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate
TL;DR: alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate (CAS 1689-85-6) is a chemical compound with molecular formula C9H5I2NO2 and molecular weight 412.84097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyano-2,6-diiodophenyl) acetate
Also Known As: 4-cyano-2,6-diiodophenyl acetate, alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate, Borane-triethylamine complex, (4-cyano-2,6-diiodophenyl) acetate, 4-(Acetyloxy)-3,5-diiodobenzonitrile
Technical Specifications
| Molecular Formula | C9H5I2NO2 |
| Molecular Weight | 412.84097 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.84097 Da |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1I)C#N)I |
| InChIKey | IXJCNATXMBKYKO-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate
Property Insights of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate. With a topological polar surface area (TPSA) of 50.1 Ų, alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate 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
What is the CAS number of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate?
The CAS number of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate is 1689-85-6.
What is the molecular formula of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate?
The molecular formula of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate is C9H5I2NO2.
What is the molecular weight of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate?
The molecular weight of alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate is 412.84097 g/mol.
Where can I buy alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate?
You can request a quote for alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate?
Yes, CoreyChem provides custom synthesis services for alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.