Deoxyloganin
TL;DR: Deoxyloganin (CAS 26660-57-1) is a chemical compound with molecular formula C17H26O9 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7S,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-carboxylate
Also Known As: Deoxyloganin, 7-Deoxyloganin, methyl (1S,4aS,7S,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-carboxylate, Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,7S,7aR)-, methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
| Molecular Formula | C17H26O9 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.15768 |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 26660-57-1 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | KMHXLGLJTQHEIM-OUEWTLASSA-N |
Product Overview
Deoxyloganin (CAS 26660-57-1), with molecular formula C17H26O9 and molecular weight 374.16 g/mol. IUPAC: methyl (1S,4aS,7S,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-carboxylate.
Chemical Property Profile of Deoxyloganin
Property Insights of Deoxyloganin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxyloganin. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyloganin. Following Lipinski's Rule of Five, Deoxyloganin has 4 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 Deoxyloganin?
The CAS number of Deoxyloganin is 26660-57-1.
What is the molecular formula of Deoxyloganin?
The molecular formula of Deoxyloganin is C17H26O9.
What is the molecular weight of Deoxyloganin?
The molecular weight of Deoxyloganin is 374.16 g/mol.
Where can I buy Deoxyloganin?
You can request a quote for Deoxyloganin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyloganin?
Yes, KEHONG BIO provides custom synthesis services for Deoxyloganin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.