![1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile structure](/static/products/1614/161468-31-1.webp)
1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile
TL;DR: 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile (CAS 161468-31-1) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-cyano-3-methylisochromen-1-ylidene)acetamide
Also Known As: 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile, 1H-1,3,4-Benzotriazepine, N-(4-cyano-3-methylisochromen-1-ylidene)acetamide, N-(4-cyano-3-methyl-1H-isochromen-1-ylidene)acetamide, AN-584/41775051
Technical Specifications
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.07423 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.07423 Da |
| Heavy Atoms | 17 |
| Complexity | 453.0 |
| SMILES | CC1=C(C2=CC=CC=C2C(=NC(=O)C)O1)C#N |
| InChIKey | MBPUQAHSFIIQRP-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile
Property Insights of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile. Following Lipinski's Rule of Five, 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-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
What is the CAS number of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile?
The CAS number of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile is 161468-31-1.
What is the molecular formula of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile?
The molecular formula of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile is C13H10N2O2.
What is the molecular weight of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile?
The molecular weight of 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile is 226.07423 g/mol.
Where can I buy 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile?
You can request a quote for 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1H-1-Acetylimino-3-methylbenzo[c]pyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.