![3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile structure](/static/products/1118/111861-48-4.webp)
3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
TL;DR: 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 111861-48-4) is a chemical compound with molecular formula C20H13N3O3 and molecular weight 343.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
Also Known As: 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile, BAS 00692440, J3.199.450K, 3-Amino-1-(3-nitro-phenyl)-1H-benzo[f]chromene-2-carbonitrile, 3-AMINO-1-(3-NITROPHENYL)-1H-BENZO[F]CHROMEN-2-YL CYANIDE
Technical Specifications
| Molecular Formula | C20H13N3O3 |
| Molecular Weight | 343.0957 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.0957 Da |
| Heavy Atoms | 26 |
| Complexity | 646.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | PYIXQVYMJDILFL-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
Property Insights of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile
The XLogP value of 4.4 indicates that 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile. Following Lipinski's Rule of Five, 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The CAS number of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile is 111861-48-4.
What is the molecular formula of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular formula of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile is C20H13N3O3.
What is the molecular weight of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular weight of 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile is 343.0957 g/mol.
Where can I buy 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile?
You can request a quote for 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.