8-Epideoxyloganic acid
TL;DR: 8-Epideoxyloganic acid (CAS 88668-99-9) is a chemical compound with molecular formula C16H24O9 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Also Known As: 8-Epideoxyloganic acid, 8-Epideoxyloganicacid, 8-epi-Deoxyloganic acid, 7-Deoxy-8-epi-loganic acid, 7-Deoxy-8-epiloganic acid
| Molecular Formula | C16H24O9 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.14203 |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 88668-99-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | DSXFHNSGLYXPNG-PKUPRILXSA-N |
Product Overview
8-Epideoxyloganic acid (CAS 88668-99-9), with molecular formula C16H24O9 and molecular weight 360.14 g/mol. IUPAC: (1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of 8-Epideoxyloganic acid
Property Insights of 8-Epideoxyloganic acid
The XLogP value of -0.4 indicates that 8-Epideoxyloganic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 8-Epideoxyloganic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Epideoxyloganic acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Epideoxyloganic acid?
The CAS number of 8-Epideoxyloganic acid is 88668-99-9.
What is the molecular formula of 8-Epideoxyloganic acid?
The molecular formula of 8-Epideoxyloganic acid is C16H24O9.
What is the molecular weight of 8-Epideoxyloganic acid?
The molecular weight of 8-Epideoxyloganic acid is 360.14 g/mol.
Where can I buy 8-Epideoxyloganic acid?
You can request a quote for 8-Epideoxyloganic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Epideoxyloganic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Epideoxyloganic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.