![Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- structure](/static/products/896/89607-58-9.png)
Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-
TL;DR: Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- (CAS 89607-58-9) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-hydroxy-4-methoxyphenyl)methylidene]propanedinitrile
Also Known As: Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-, 2-[(3-hydroxy-4-methoxyphenyl)methylidene]propanedinitrile, benzylidenemalononitrile (BMN) deriv. 15, BIM-0011453.P001, (3-hydroxy-4-methoxybenzylidene)propanedinitrile
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 89607-58-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C#N)O |
| InChIKey | ANCMUMYWPOMTIR-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- (CAS 89607-58-9), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 2-[(3-hydroxy-4-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-
Property Insights of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- 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 Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-?
The CAS number of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- is 89607-58-9.
What is the molecular formula of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-?
The molecular formula of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- is C11H8N2O2.
What is the molecular weight of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-?
The molecular weight of Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- is 200.06 g/mol.
Where can I buy Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-?
You can request a quote for Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [(3-hydroxy-4-methoxyphenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.