Malononitrile, (5-chloro-2-hydroxybenzylidene)-
TL;DR: Malononitrile, (5-chloro-2-hydroxybenzylidene)- (CAS 5348-77-6) 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-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: 5-Chloro-2-hydroxybenzylidenemalononitrile, MALONONITRILE, (5-CHLORO-2-HYDROXYBENZYLIDENE)-, 2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile, 2-(5-Chloro-2-hydroxybenzylidene)malononitrile, (5-CHLORO-2-HYDROXYBENZYLIDENE)MALONONITRILE
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.00903 |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5348-77-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C=C(C#N)C#N)O |
| InChIKey | YNDWMWPHAMWBLG-UHFFFAOYSA-N |
Product Overview
Malononitrile, (5-chloro-2-hydroxybenzylidene)- (CAS 5348-77-6), with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol. IUPAC: 2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of Malononitrile, (5-chloro-2-hydroxybenzylidene)-
Property Insights of Malononitrile, (5-chloro-2-hydroxybenzylidene)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (5-chloro-2-hydroxybenzylidene)-. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (5-chloro-2-hydroxybenzylidene)-. Following Lipinski's Rule of Five, Malononitrile, (5-chloro-2-hydroxybenzylidene)- 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 Malononitrile, (5-chloro-2-hydroxybenzylidene)-?
The CAS number of Malononitrile, (5-chloro-2-hydroxybenzylidene)- is 5348-77-6.
What is the molecular formula of Malononitrile, (5-chloro-2-hydroxybenzylidene)-?
The molecular formula of Malononitrile, (5-chloro-2-hydroxybenzylidene)- is C10H5ClN2O.
What is the molecular weight of Malononitrile, (5-chloro-2-hydroxybenzylidene)-?
The molecular weight of Malononitrile, (5-chloro-2-hydroxybenzylidene)- is 204.01 g/mol.
Where can I buy Malononitrile, (5-chloro-2-hydroxybenzylidene)-?
You can request a quote for Malononitrile, (5-chloro-2-hydroxybenzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (5-chloro-2-hydroxybenzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (5-chloro-2-hydroxybenzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.