6'-(m-Hydroxybenzoyl)loganin
TL;DR: 6'-(m-Hydroxybenzoyl)loganin (CAS 82474-98-4) is a chemical compound with molecular formula C24H30O12 and molecular weight 510.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: 6'-(m-Hydroxybenzoyl)loganin, Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-((6-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-, Methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-1-{[6-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, METHYL (1S,2R,6R,8R,9S)-8-HYDROXY-9-METHYL-2-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[(3-HYDROXYBENZOYL)OXYMETHYL]OXAN-2-YL]OXY-3-OXABICYCLO[4.3.0]NON-4-ENE-5-CARBOXYLATE
| Molecular Formula | C24H30O12 |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.17374 |
| Heavy Atoms | 36 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 82474-98-4 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C[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)COC(=O)C4=CC(=CC=C4)O)O)O)O)O |
| InChIKey | FLFVLNFBZSLWFZ-FAYXVKSQSA-N |
Product Overview
6'-(m-Hydroxybenzoyl)loganin (CAS 82474-98-4), with molecular formula C24H30O12 and molecular weight 510.17 g/mol. IUPAC: methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of 6'-(m-Hydroxybenzoyl)loganin
Property Insights of 6'-(m-Hydroxybenzoyl)loganin
The XLogP value of -0.1 indicates that 6'-(m-Hydroxybenzoyl)loganin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 6'-(m-Hydroxybenzoyl)loganin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-(m-Hydroxybenzoyl)loganin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-(m-Hydroxybenzoyl)loganin?
The CAS number of 6'-(m-Hydroxybenzoyl)loganin is 82474-98-4.
What is the molecular formula of 6'-(m-Hydroxybenzoyl)loganin?
The molecular formula of 6'-(m-Hydroxybenzoyl)loganin is C24H30O12.
What is the molecular weight of 6'-(m-Hydroxybenzoyl)loganin?
The molecular weight of 6'-(m-Hydroxybenzoyl)loganin is 510.17 g/mol.
Where can I buy 6'-(m-Hydroxybenzoyl)loganin?
You can request a quote for 6'-(m-Hydroxybenzoyl)loganin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-(m-Hydroxybenzoyl)loganin?
Yes, KEHONG BIO provides custom synthesis services for 6'-(m-Hydroxybenzoyl)loganin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.