Agr 540
TL;DR: Agr 540 (CAS 104124-23-4) is a chemical compound with molecular formula C23H32N6O8 and molecular weight 520.22815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5S)-5-[6-[(4-amino-4-oxobutyl)amino]purin-9-yl]-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate
Also Known As: Agr 540, (Carboxamido-3-propylamino)-6-(tripropionyl)-2',3',5'-beta-(D-ribosyl)-9-purine, [(2R,3R,4R,5S)-5-[6-[(4-amino-4-oxobutyl)amino]purin-9-yl]-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate
Technical Specifications
| Molecular Formula | C23H32N6O8 |
| Molecular Weight | 520.22815 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 520.22815 Da |
| Heavy Atoms | 37 |
| Complexity | 816.0 |
| SMILES | CCC(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C(N=CN=C32)NCCCC(=O)N)OC(=O)CC)OC(=O)CC |
| InChIKey | YDAFJDAEPUHFIH-SZNHJCNSSA-N |
Chemical Property Profile of Agr 540
Property Insights of Agr 540
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Agr 540. The TPSA of 187.0 Ų indicates high polarity, suggesting Agr 540 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agr 540 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Agr 540?
The CAS number of Agr 540 is 104124-23-4.
What is the molecular formula of Agr 540?
The molecular formula of Agr 540 is C23H32N6O8.
What is the molecular weight of Agr 540?
The molecular weight of Agr 540 is 520.22815 g/mol.
Where can I buy Agr 540?
You can request a quote for Agr 540 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agr 540?
Yes, CoreyChem provides custom synthesis services for Agr 540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.