![4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile structure](/static/products/5544/554443-39-9.webp)
4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile
TL;DR: 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CAS 554443-39-9) is a chemical compound with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile
Also Known As: IDI1_008104, 4-[(1,3-dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile, 4-[(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-1,5-dimethyl-1H-pyrrole-2-carbonitrile
| Molecular Formula | C17H12N2O2 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.6678 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.08987 |
| Heavy Atoms | 21 |
| Complexity | 826.40063 |
Chemical Identifiers
| CAS Number | 554443-39-9 |
|---|---|
| SMILES | CC1=C(C=C(N1C)C#N)C=C2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CAS 554443-39-9), with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol. IUPAC: 4-[(1,3-dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
Chemical Property Profile of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile
Property Insights of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile
The XLogP value of 2.6678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile. Following Lipinski's Rule of Five, 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile 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 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The CAS number of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile is 554443-39-9.
What is the molecular formula of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The molecular formula of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile is C17H12N2O2.
What is the molecular weight of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The molecular weight of 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile is 276.09 g/mol.
Where can I buy 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
You can request a quote for 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-Dioxoinden-2-ylidene)methyl]-1,5-dimethylpyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.