(3-Chloro-4-hydroxybenzylidene)propanedinitrile
TL;DR: (3-Chloro-4-hydroxybenzylidene)propanedinitrile (CAS 159102-16-6) is a chemical compound with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: (3-chloro-4-hydroxybenzylidene)propanedinitrile, 2-(3-Chloro-4-hydroxybenzylidene)malononitrile, 2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.47616 |
| Topological Polar Surface Area | 67.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.00903 |
| Heavy Atoms | 14 |
| Complexity | 449.99084 |
Chemical Identifiers
| CAS Number | 159102-16-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C#N)C#N)Cl)O |
Product Overview
(3-Chloro-4-hydroxybenzylidene)propanedinitrile (CAS 159102-16-6), with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol. IUPAC: 2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (3-Chloro-4-hydroxybenzylidene)propanedinitrile
Property Insights of (3-Chloro-4-hydroxybenzylidene)propanedinitrile
The XLogP value of 2.47616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4-hydroxybenzylidene)propanedinitrile. The TPSA of 67.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chloro-4-hydroxybenzylidene)propanedinitrile. Following Lipinski's Rule of Five, (3-Chloro-4-hydroxybenzylidene)propanedinitrile 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-Chloro-4-hydroxybenzylidene)propanedinitrile?
The CAS number of (3-Chloro-4-hydroxybenzylidene)propanedinitrile is 159102-16-6.
What is the molecular formula of (3-Chloro-4-hydroxybenzylidene)propanedinitrile?
The molecular formula of (3-Chloro-4-hydroxybenzylidene)propanedinitrile is C10H5ClN2O.
What is the molecular weight of (3-Chloro-4-hydroxybenzylidene)propanedinitrile?
The molecular weight of (3-Chloro-4-hydroxybenzylidene)propanedinitrile is 204.01 g/mol.
Where can I buy (3-Chloro-4-hydroxybenzylidene)propanedinitrile?
You can request a quote for (3-Chloro-4-hydroxybenzylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-4-hydroxybenzylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-4-hydroxybenzylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.