Squalestatin 3
TL;DR: Squalestatin 3 (CAS 142505-92-8) is a chemical compound with molecular formula C25H30O13 and molecular weight 538.16864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Also Known As: Squalestatin 3, Squalestatin H1, Squalestatin-H1, Squalestatin C, SQUALESTATIN III
Technical Specifications
| Molecular Formula | C25H30O13 |
| Molecular Weight | 538.16864 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 538.16864 Da |
| Heavy Atoms | 38 |
| Complexity | 974.0 |
| SMILES | C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)O)O)OC(=O)C |
| InChIKey | RUIMBWGGEYKRPS-UBAHACBWSA-N |
Chemical Property Profile of Squalestatin 3
Property Insights of Squalestatin 3
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Squalestatin 3. The TPSA of 217.0 Ų indicates high polarity, suggesting Squalestatin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Squalestatin 3 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Squalestatin 3?
The CAS number of Squalestatin 3 is 142505-92-8.
What is the molecular formula of Squalestatin 3?
The molecular formula of Squalestatin 3 is C25H30O13.
What is the molecular weight of Squalestatin 3?
The molecular weight of Squalestatin 3 is 538.16864 g/mol.
Where can I buy Squalestatin 3?
You can request a quote for Squalestatin 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Squalestatin 3?
Yes, CoreyChem provides custom synthesis services for Squalestatin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.