2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile
TL;DR: 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile (CAS 332404-37-2) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile
Also Known As: 2-(1,3-benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile, 2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-4,5-dimethyl-3-furonitrile, 2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]-4,5-dimethylfuran-3-carbonitrile, 2-(1,3-benzodioxol-5-ylmethyleneamino)-4,5-dimethyl-furan-3-carbonitrile, (E)-2-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-4,5-dimethylfuran-3-carbonitrile
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 332404-37-2 |
|---|---|
| SMILES | CC1=C(OC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C |
| InChIKey | MCRUVJHIDCKGLF-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile (CAS 332404-37-2), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile
Property Insights of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile is 332404-37-2.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile is C15H12N2O3.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile is 268.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethylideneamino)-4,5-dimethylfuran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.