2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
TL;DR: 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile (CAS 111861-40-6) is a chemical compound with molecular formula C16H12FN3O and molecular weight 281.09644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
Also Known As: BAS 00779537, 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile, 2,7-Diamino-4-(3-fluoro-phenyl)-4H-chromene-3-carbonitrile, BRD-A17094328-001-12-1, 4H-1-Benzopyran-3-carbonitrile, 2,7-diamino-4-(3-fluorophenyl)-
Technical Specifications
| Molecular Formula | C16H12FN3O |
| Molecular Weight | 281.09644 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.09644 Da |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
| SMILES | C1=CC(=CC(=C1)F)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N |
| InChIKey | ZQDDHNXMFGSCCR-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
Property Insights of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile has 2 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 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The CAS number of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile is 111861-40-6.
What is the molecular formula of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The molecular formula of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile is C16H12FN3O.
What is the molecular weight of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The molecular weight of 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile is 281.09644 g/mol.
Where can I buy 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
You can request a quote for 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,7-diamino-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.