(5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile
TL;DR: (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile (CAS 357227-84-0) is a chemical compound with molecular formula C11H7BrN2O2 and molecular weight 277.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
Also Known As: (5-bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile, 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C11H7BrN2O2 |
|---|---|
| Molecular Weight | 277.97 g/mol |
| LogP | 2.59386 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.9691 |
| Heavy Atoms | 16 |
| Complexity | 508.01172 |
Chemical Identifiers
| CAS Number | 357227-84-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C=C(C#N)C#N)Br |
Product Overview
(5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile (CAS 357227-84-0), with molecular formula C11H7BrN2O2 and molecular weight 277.97 g/mol. IUPAC: 2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile
Property Insights of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile
The XLogP value of 2.59386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile. Following Lipinski's Rule of Five, (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile 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 (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile?
The CAS number of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile is 357227-84-0.
What is the molecular formula of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile?
The molecular formula of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile is C11H7BrN2O2.
What is the molecular weight of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile?
The molecular weight of (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile is 277.97 g/mol.
Where can I buy (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile?
You can request a quote for (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Bromo-2-hydroxy-3-methoxybenzylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.