BAS 00666582
TL;DR: BAS 00666582 (CAS 107752-90-9) is a chemical compound with molecular formula C16H13FN2O2 and molecular weight 284.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00666582, 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, AB00074075-01, 2-Amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile, 2-Amino-4-(3-fluoro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H13FN2O2 |
| Molecular Weight | 284.0961 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.0961 Da |
| Heavy Atoms | 21 |
| Complexity | 584.0 |
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)F)C(=O)C1 |
| InChIKey | ZKBQIEXFNPGBTI-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00666582
Property Insights of BAS 00666582
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00666582. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666582. Following Lipinski's Rule of Five, BAS 00666582 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 BAS 00666582?
The CAS number of BAS 00666582 is 107752-90-9.
What is the molecular formula of BAS 00666582?
The molecular formula of BAS 00666582 is C16H13FN2O2.
What is the molecular weight of BAS 00666582?
The molecular weight of BAS 00666582 is 284.0961 g/mol.
Where can I buy BAS 00666582?
You can request a quote for BAS 00666582 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00666582?
Yes, CoreyChem provides custom synthesis services for BAS 00666582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.