C16H12FN3O3
TL;DR: C16H12FN3O3 (CAS 1212454-97-1) is a chemical compound with molecular formula C16H12FN3O3 and molecular weight 313.08627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6R,7S)-7-(4-fluorobenzoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Technical Specifications
| Molecular Formula | C16H12FN3O3 |
| Molecular Weight | 313.08627 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.08627 Da |
| Heavy Atoms | 23 |
| Complexity | 624.0 |
| SMILES | C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)C4=CC=C(C=C4)F)C(=O)NC3=O |
| InChIKey | JCEBWQSDVUEELZ-LPWJVIDDSA-N |
Chemical Property Profile of C16H12FN3O3
Property Insights of C16H12FN3O3
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H12FN3O3. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12FN3O3. Following Lipinski's Rule of Five, C16H12FN3O3 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H12FN3O3?
The CAS number of C16H12FN3O3 is 1212454-97-1.
What is the molecular formula of C16H12FN3O3?
The molecular formula of C16H12FN3O3 is C16H12FN3O3.
What is the molecular weight of C16H12FN3O3?
The molecular weight of C16H12FN3O3 is 313.08627 g/mol.
Where can I buy C16H12FN3O3?
You can request a quote for C16H12FN3O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H12FN3O3?
Yes, CoreyChem provides custom synthesis services for C16H12FN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.