1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
TL;DR: 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one (CAS 102791-33-3) is a chemical compound with molecular formula C15H7NO4 and molecular weight 265.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-nitro-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
Also Known As: 1-Nitro-5H-phenanthro(4,5-bcd)pyran-5-one, 5H-Phenanthro(4,5-bcd)pyran-5-one, 1-nitro-, J1.634.948H, 1-NITRO-5H-PHENANTHRO[4,5-BCD]PYRAN-5-ONE, 5H-Phenanthro[4,5-bcd]pyran-5-one,1-nitro- (9CI)
Technical Specifications
| Molecular Formula | C15H7NO4 |
| Molecular Weight | 265.0375 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.0375 Da |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
| SMILES | C1=CC2=C3C(=C1)C(=O)OC4=C3C(=C(C=C4)[N+](=O)[O-])C=C2 |
| InChIKey | WAKRBKMZTCRERT-UHFFFAOYSA-N |
Chemical Property Profile of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
Property Insights of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
The XLogP value of 3.7 indicates that 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one. Following Lipinski's Rule of Five, 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one?
The CAS number of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one is 102791-33-3.
What is the molecular formula of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one?
The molecular formula of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one is C15H7NO4.
What is the molecular weight of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one?
The molecular weight of 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one is 265.0375 g/mol.
Where can I buy 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one?
You can request a quote for 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one?
Yes, CoreyChem provides custom synthesis services for 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.