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[Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile
TL;DR: [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile (CAS 118409-63-5) is a chemical compound with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy-(4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: alpha,4-Dihydroxybenzylidenemalononitrile, benzylidenemalononitrile (BMN) deriv. 43, 2-(Hydroxy(4-Hydroxyphenyl)Methylene)Malononitrile, J1.269.228E, [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C10H6N2O2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.70846 |
| Topological Polar Surface Area | 88.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04292 |
| Heavy Atoms | 14 |
| Complexity | 430.49573 |
Chemical Identifiers
| CAS Number | 118409-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=C(C#N)C#N)O)O |
Product Overview
[Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile (CAS 118409-63-5), with molecular formula C10H6N2O2 and molecular weight 186.04 g/mol. IUPAC: 2-[hydroxy-(4-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile
Property Insights of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile
The XLogP value of 1.70846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile. The TPSA of 88.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile has 2 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 [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile?
The CAS number of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile is 118409-63-5.
What is the molecular formula of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile?
The molecular formula of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile is C10H6N2O2.
What is the molecular weight of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile?
The molecular weight of [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile is 186.04 g/mol.
Where can I buy [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile?
You can request a quote for [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [Hydroxy(4-hydroxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.