![[(5-methylfuran-2-yl)methylidene]propanedinitrile structure](/static/products/810/81020-79-3.png)
[(5-methylfuran-2-yl)methylidene]propanedinitrile
TL;DR: [(5-methylfuran-2-yl)methylidene]propanedinitrile (CAS 81020-79-3) is a chemical compound with molecular formula C9H6N2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylfuran-2-yl)methylidene]propanedinitrile
Also Known As: [(5-methylfuran-2-yl)methylidene]propanedinitrile|KS-000041JK|[(5-methyl-2-furyl)methylene]malononitrile|2-((5-Methylfuran-2-yl)methylene)malononitrile|2-[(5-methylfuran-2-yl)methylidene]propanedinitrile|2-[(5-methyl-2-furyl)methylene]malononitrile|2-[(5-methyl-2-furyl)methylene]propanedinitrile|[(5-methyl-2-furyl)methylene]methane-1,1-dicarbonitrile|RefChem:381304|DTXCID70272792|MFCD00176401
| Molecular Formula | C9H6N2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04802 |
| Heavy Atoms | 12 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 81020-79-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C=C(C#N)C#N |
| InChIKey | LYDFGOIVNORMMX-UHFFFAOYSA-N |
Product Overview
[(5-methylfuran-2-yl)methylidene]propanedinitrile (CAS 81020-79-3), with molecular formula C9H6N2O and molecular weight 158.05 g/mol. IUPAC: 2-[(5-methylfuran-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(5-methylfuran-2-yl)methylidene]propanedinitrile
Property Insights of [(5-methylfuran-2-yl)methylidene]propanedinitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-methylfuran-2-yl)methylidene]propanedinitrile. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-methylfuran-2-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(5-methylfuran-2-yl)methylidene]propanedinitrile has 0 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 [(5-methylfuran-2-yl)methylidene]propanedinitrile?
The CAS number of [(5-methylfuran-2-yl)methylidene]propanedinitrile is 81020-79-3.
What is the molecular formula of [(5-methylfuran-2-yl)methylidene]propanedinitrile?
The molecular formula of [(5-methylfuran-2-yl)methylidene]propanedinitrile is C9H6N2O.
What is the molecular weight of [(5-methylfuran-2-yl)methylidene]propanedinitrile?
The molecular weight of [(5-methylfuran-2-yl)methylidene]propanedinitrile is 158.05 g/mol.
Where can I buy [(5-methylfuran-2-yl)methylidene]propanedinitrile?
You can request a quote for [(5-methylfuran-2-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-methylfuran-2-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(5-methylfuran-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.