Embinin
TL;DR: Embinin (CAS 52589-13-6) is a chemical compound with molecular formula C29H34O14 and molecular weight 606.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Also Known As: Embinin, 6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 6-(2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-, (1xi)-1,5-Anhydro-2-O-(6-deoxy-D-mannopyranosyl)-1-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol, 1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-(5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)hexitol
| Molecular Formula | C29H34O14 |
|---|---|
| Molecular Weight | 606.19 g/mol |
| LogP | -0.4505 |
| Topological Polar Surface Area | 217.97 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.1949 |
| Heavy Atoms | 43 |
| Complexity | 1489.267 |
Chemical Identifiers
| CAS Number | 52589-13-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)OC)OC)CO)O)O)O)O)O |
Product Overview
Embinin (CAS 52589-13-6), with molecular formula C29H34O14 and molecular weight 606.19 g/mol. IUPAC: 6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one.
Chemical Property Profile of Embinin
Property Insights of Embinin
The XLogP value of -0.4505 indicates that Embinin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.97 Ų indicates high polarity, suggesting Embinin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Embinin has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Embinin?
The CAS number of Embinin is 52589-13-6.
What is the molecular formula of Embinin?
The molecular formula of Embinin is C29H34O14.
What is the molecular weight of Embinin?
The molecular weight of Embinin is 606.19 g/mol.
Where can I buy Embinin?
You can request a quote for Embinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Embinin?
Yes, KEHONG BIO provides custom synthesis services for Embinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.