AF-399/13806120
TL;DR: AF-399/13806120 (CAS 499203-49-5) is a chemical compound with molecular formula C23H18BrN7O2 and molecular weight 503.07053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
Also Known As: AF-399/13806120, F1092-1302, (E)-N'-(5-bromo-2-oxoindolin-3-ylidene)-3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazide, N'-[(3E)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazide, N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
Technical Specifications
| Molecular Formula | C23H18BrN7O2 |
| Molecular Weight | 503.07053 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.07053 Da |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)N=NC4=C(NC5=C4C=C(C=C5)Br)O |
| InChIKey | WHDIAFKLBZHFFR-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/13806120
Property Insights of AF-399/13806120
The XLogP value of 5.4 indicates that AF-399/13806120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806120. Following Lipinski's Rule of Five, AF-399/13806120 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AF-399/13806120?
The CAS number of AF-399/13806120 is 499203-49-5.
What is the molecular formula of AF-399/13806120?
The molecular formula of AF-399/13806120 is C23H18BrN7O2.
What is the molecular weight of AF-399/13806120?
The molecular weight of AF-399/13806120 is 503.07053 g/mol.
Where can I buy AF-399/13806120?
You can request a quote for AF-399/13806120 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/13806120?
Yes, CoreyChem provides custom synthesis services for AF-399/13806120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.