3-Bromo-4-hydroxy-5-iodobenzonitrile
TL;DR: 3-Bromo-4-hydroxy-5-iodobenzonitrile (CAS 3336-26-3) is a chemical compound with molecular formula C7H3BrINO and molecular weight 322.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-hydroxy-5-iodobenzonitrile
Also Known As: 3-Bromo-4-hydroxy-5-iodobenzonitrile, 3-Brom-5-jod-4-hydroxy-benzonitril, 3-Bromo-5-iodo-4-hydroxybenzonitrile, Benzonitrile, 3-bromo-4-hydroxy-5-iodo-, 222-070-3
| Molecular Formula | C7H3BrINO |
|---|---|
| Molecular Weight | 322.84 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.84427 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3336-26-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)I)C#N |
| InChIKey | WLQYCVYQRFCPSX-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-hydroxy-5-iodobenzonitrile (CAS 3336-26-3), with molecular formula C7H3BrINO and molecular weight 322.84 g/mol. IUPAC: 3-bromo-4-hydroxy-5-iodobenzonitrile.
Chemical Property Profile of 3-Bromo-4-hydroxy-5-iodobenzonitrile
Property Insights of 3-Bromo-4-hydroxy-5-iodobenzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-hydroxy-5-iodobenzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Bromo-4-hydroxy-5-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-hydroxy-5-iodobenzonitrile 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 3-Bromo-4-hydroxy-5-iodobenzonitrile?
The CAS number of 3-Bromo-4-hydroxy-5-iodobenzonitrile is 3336-26-3.
What is the molecular formula of 3-Bromo-4-hydroxy-5-iodobenzonitrile?
The molecular formula of 3-Bromo-4-hydroxy-5-iodobenzonitrile is C7H3BrINO.
What is the molecular weight of 3-Bromo-4-hydroxy-5-iodobenzonitrile?
The molecular weight of 3-Bromo-4-hydroxy-5-iodobenzonitrile is 322.84 g/mol.
Where can I buy 3-Bromo-4-hydroxy-5-iodobenzonitrile?
You can request a quote for 3-Bromo-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-Bromo-4-hydroxy-5-iodobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-hydroxy-5-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.