3-Ethoxy-4-hydroxy-5-iodobenzonitrile
TL;DR: 3-Ethoxy-4-hydroxy-5-iodobenzonitrile (CAS 330462-58-3) is a chemical compound with molecular formula C9H8INO2 and molecular weight 288.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-hydroxy-5-iodobenzonitrile
Also Known As: 3-ethoxy-4-hydroxy-5-iodobenzonitrile, starbld0046099, Benzonitrile, 3-ethoxy-4-hydroxy-5-iodo-, 3-Ethoxy-4-hydroxy-5-iodo-benzonitrile, 5-ethoxy-4-hydroxy-3-iodobenzenecarbonitrile
| Molecular Formula | C9H8INO2 |
|---|---|
| Molecular Weight | 288.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.96 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 330462-58-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C#N)I)O |
| InChIKey | IVSLDCBERYFMQU-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-4-hydroxy-5-iodobenzonitrile (CAS 330462-58-3), with molecular formula C9H8INO2 and molecular weight 288.96 g/mol. IUPAC: 3-ethoxy-4-hydroxy-5-iodobenzonitrile.
Chemical Property Profile of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile
Property Insights of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-hydroxy-5-iodobenzonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 3-Ethoxy-4-hydroxy-5-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-4-hydroxy-5-iodobenzonitrile has 1 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 3-Ethoxy-4-hydroxy-5-iodobenzonitrile?
The CAS number of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile is 330462-58-3.
What is the molecular formula of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile?
The molecular formula of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile is C9H8INO2.
What is the molecular weight of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile?
The molecular weight of 3-Ethoxy-4-hydroxy-5-iodobenzonitrile is 288.96 g/mol.
Where can I buy 3-Ethoxy-4-hydroxy-5-iodobenzonitrile?
You can request a quote for 3-Ethoxy-4-hydroxy-5-iodobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-hydroxy-5-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-hydroxy-5-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.