Ibotanolide B
TL;DR: Ibotanolide B (CAS 123562-46-9) is a chemical compound with molecular formula C23H26O11 and molecular weight 478.14752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Ibotanolide B, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C23H26O11 |
| Molecular Weight | 478.14752 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.14752 Da |
| Heavy Atoms | 34 |
| Complexity | 673.0 |
| SMILES | C1=CC(=C(C=C1CCO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O |
| InChIKey | OGOZNIDPPAXEHW-FOXCETOMSA-N |
Chemical Property Profile of Ibotanolide B
Property Insights of Ibotanolide B
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibotanolide B. The TPSA of 186.0 Ų indicates high polarity, suggesting Ibotanolide B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ibotanolide B has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ibotanolide B?
The CAS number of Ibotanolide B is 123562-46-9.
What is the molecular formula of Ibotanolide B?
The molecular formula of Ibotanolide B is C23H26O11.
What is the molecular weight of Ibotanolide B?
The molecular weight of Ibotanolide B is 478.14752 g/mol.
Where can I buy Ibotanolide B?
You can request a quote for Ibotanolide B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibotanolide B?
Yes, CoreyChem provides custom synthesis services for Ibotanolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.