C16H12N4O5
TL;DR: C16H12N4O5 (CAS 1212476-06-6) is a chemical compound with molecular formula C16H12N4O5 and molecular weight 340.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,6S,7R)-7-(3-nitrobenzoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aS,4bR,7aS,8R)-8-(3-nitrobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Technical Specifications
| Molecular Formula | C16H12N4O5 |
| Molecular Weight | 340.08078 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.08078 Da |
| Heavy Atoms | 25 |
| Complexity | 712.0 |
| SMILES | C1=C[C@H]2[C@H]3[C@@H]([C@@H](N2N=C1)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC3=O |
| InChIKey | GIMUVRCWIHSISC-ZDEQEGDKSA-N |
Chemical Property Profile of C16H12N4O5
Property Insights of C16H12N4O5
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H12N4O5. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12N4O5. Following Lipinski's Rule of Five, C16H12N4O5 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H12N4O5?
The CAS number of C16H12N4O5 is 1212476-06-6.
What is the molecular formula of C16H12N4O5?
The molecular formula of C16H12N4O5 is C16H12N4O5.
What is the molecular weight of C16H12N4O5?
The molecular weight of C16H12N4O5 is 340.08078 g/mol.
Where can I buy C16H12N4O5?
You can request a quote for C16H12N4O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H12N4O5?
Yes, CoreyChem provides custom synthesis services for C16H12N4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.