Scrophularioside
TL;DR: Scrophularioside (CAS 75235-86-8) is a chemical compound with molecular formula C24H28O10 and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Also Known As: Scrophularioside, 2-Amino-6-hydroxy-7-methoxytetralin, beta-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl, 6-((2E)-3-phenyl-2-propenoate), [3,4,5-trihydroxy-6-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
| Molecular Formula | C24H28O10 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | -0.5372 |
| Topological Polar Surface Area | 155.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.16824 |
| Heavy Atoms | 34 |
| Complexity | 928.94116 |
Chemical Identifiers
| CAS Number | 75235-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C=C4CO)O)O)O)O |
Product Overview
Scrophularioside (CAS 75235-86-8), with molecular formula C24H28O10 and molecular weight 476.17 g/mol. IUPAC: [3,4,5-trihydroxy-6-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Scrophularioside
Property Insights of Scrophularioside
The XLogP value of -0.5372 indicates that Scrophularioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.14 Ų indicates high polarity, suggesting Scrophularioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scrophularioside has 5 hydrogen bond donor(s) and 10 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 Scrophularioside?
The CAS number of Scrophularioside is 75235-86-8.
What is the molecular formula of Scrophularioside?
The molecular formula of Scrophularioside is C24H28O10.
What is the molecular weight of Scrophularioside?
The molecular weight of Scrophularioside is 476.17 g/mol.
Where can I buy Scrophularioside?
You can request a quote for Scrophularioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scrophularioside?
Yes, KEHONG BIO provides custom synthesis services for Scrophularioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.