Isoscrophulariosid
TL;DR: Isoscrophulariosid (CAS 25654-86-8) 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.
[(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate
Also Known As: Isoscrophulariosid, Isoscrophularioside, SCROPHULARIOSID ISO, [(1S,4aR,5S,7aS)-1-(Hexopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (2E)-3-phenylprop-2-enoate, [(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-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 | 926.94116 |
Chemical Identifiers
| CAS Number | 25654-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Isoscrophulariosid (CAS 25654-86-8), with molecular formula C24H28O10 and molecular weight 476.17 g/mol. IUPAC: [(1S,4aR,5S,7aS)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Isoscrophulariosid
Property Insights of Isoscrophulariosid
The XLogP value of -0.5372 indicates that Isoscrophulariosid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.14 Ų indicates high polarity, suggesting Isoscrophulariosid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoscrophulariosid 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 Isoscrophulariosid?
The CAS number of Isoscrophulariosid is 25654-86-8.
What is the molecular formula of Isoscrophulariosid?
The molecular formula of Isoscrophulariosid is C24H28O10.
What is the molecular weight of Isoscrophulariosid?
The molecular weight of Isoscrophulariosid is 476.17 g/mol.
Where can I buy Isoscrophulariosid?
You can request a quote for Isoscrophulariosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoscrophulariosid?
Yes, KEHONG BIO provides custom synthesis services for Isoscrophulariosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.