Agi-B4
TL;DR: Agi-B4 (CAS 1313588-44-1) is a chemical compound with molecular formula C16H14O7 and molecular weight 318.07394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2-dihydroxanthene-1-carboxylate
Also Known As: AGI-B4, AGIB4 cpd, (7R,8R)-AGI-B4, AGI B4, NCI60_040773
Technical Specifications
| Molecular Formula | C16H14O7 |
| Molecular Weight | 318.07394 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.07394 Da |
| Heavy Atoms | 23 |
| Complexity | 579.0 |
| SMILES | COC(=O)[C@H]1[C@@H](C=CC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O)O |
| InChIKey | MPAKYMOQGZITTQ-OQPBUACISA-N |
Chemical Property Profile of Agi-B4
Property Insights of Agi-B4
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Agi-B4. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agi-B4. Following Lipinski's Rule of Five, Agi-B4 has 3 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 Agi-B4?
The CAS number of Agi-B4 is 1313588-44-1.
What is the molecular formula of Agi-B4?
The molecular formula of Agi-B4 is C16H14O7.
What is the molecular weight of Agi-B4?
The molecular weight of Agi-B4 is 318.07394 g/mol.
Where can I buy Agi-B4?
You can request a quote for Agi-B4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agi-B4?
Yes, CoreyChem provides custom synthesis services for Agi-B4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.