AE-848/31945037
TL;DR: AE-848/31945037 (CAS 162710-44-3) is a chemical compound with molecular formula C14H14N4O4 and molecular weight 302.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-nitro-1,3,12-triazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-triene-4,11-dione
Also Known As: AE-848/31945037, (2S,4S,6S)-6-nitro-6,7-dihydro-2,6:4,8-dimethanobenzo[i][1,3,7]triazacycloundecine-1,9(3H,5H)-dione, 14-[hydroxy(oxido)amino]-1,3,12-triazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5,7,9-triene-4,11-dione, 14-nitro-1,3,12-triazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5,7,9-triene-4,11-dione (non-preferred name)
Technical Specifications
| Molecular Formula | C14H14N4O4 |
| Molecular Weight | 302.1015 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1015 Da |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
| SMILES | C1C2(CN3CN1CN(C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-] |
| InChIKey | VWCVEOCDIRZPAO-UHFFFAOYSA-N |
Chemical Property Profile of AE-848/31945037
Property Insights of AE-848/31945037
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/31945037. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/31945037. Following Lipinski's Rule of Five, AE-848/31945037 has 0 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 AE-848/31945037?
The CAS number of AE-848/31945037 is 162710-44-3.
What is the molecular formula of AE-848/31945037?
The molecular formula of AE-848/31945037 is C14H14N4O4.
What is the molecular weight of AE-848/31945037?
The molecular weight of AE-848/31945037 is 302.1015 g/mol.
Where can I buy AE-848/31945037?
You can request a quote for AE-848/31945037 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AE-848/31945037?
Yes, CoreyChem provides custom synthesis services for AE-848/31945037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.