七叶苷
TL;DR: 七叶苷 (CAS 531-75-9) is a chemical compound with molecular formula C15H16O9 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
七叶苷
7-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Also Known As: Esculin hydrate, aesculin, Aesculinum, Esculetin-6-b-D-glucopyranoside, 6-(b-D-Glucopyranosyloxy)-7-hydroxycoumarin
| Molecular Formula | C15H16O9 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | -1.3227 |
| Topological Polar Surface Area | 149.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.07944 |
| Heavy Atoms | 24 |
| Complexity | 784.09863 |
Chemical Identifiers
| CAS Number | 531-75-9 |
|---|---|
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)O)O |
Product Overview
七叶苷 (CAS 531-75-9), with molecular formula C15H16O9 and molecular weight 340.08 g/mol. IUPAC: 7-hydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one.
Chemical Property Profile of 七叶苷
Property Insights of 七叶苷
The XLogP value of -1.3227 indicates that 七叶苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.82 Ų indicates high polarity, suggesting 七叶苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 七叶苷 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 七叶苷?
The CAS number of 七叶苷 is 531-75-9.
What is the molecular formula of 七叶苷?
The molecular formula of 七叶苷 is C15H16O9.
What is the molecular weight of 七叶苷?
The molecular weight of 七叶苷 is 340.08 g/mol.
Where can I buy 七叶苷?
You can request a quote for 七叶苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 七叶苷?
Yes, KEHONG BIO provides custom synthesis services for 七叶苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.