2-Ethylrutoside
TL;DR: 2-Ethylrutoside (CAS 36057-92-8) is a chemical compound with molecular formula C29H34O16 and molecular weight 638.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: 2-Ethylrutoside, O-ethylrutin, ortho-Ethylrutoside, O-ETHYLRUTOSIDE, ETHYL RUTIN, O-
| Molecular Formula | C29H34O16 |
|---|---|
| Molecular Weight | 638.18 g/mol |
| LogP | -0.994 |
| Topological Polar Surface Area | 258.43 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 638.1847 |
| Heavy Atoms | 45 |
| Complexity | 1574.1111 |
Chemical Identifiers
| CAS Number | 36057-92-8 |
|---|---|
| SMILES | CCOC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O)O)O)O |
Product Overview
2-Ethylrutoside (CAS 36057-92-8), with molecular formula C29H34O16 and molecular weight 638.18 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 2-Ethylrutoside
Property Insights of 2-Ethylrutoside
The XLogP value of -0.994 indicates that 2-Ethylrutoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.43 Ų indicates high polarity, suggesting 2-Ethylrutoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Ethylrutoside has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethylrutoside?
The CAS number of 2-Ethylrutoside is 36057-92-8.
What is the molecular formula of 2-Ethylrutoside?
The molecular formula of 2-Ethylrutoside is C29H34O16.
What is the molecular weight of 2-Ethylrutoside?
The molecular weight of 2-Ethylrutoside is 638.18 g/mol.
Where can I buy 2-Ethylrutoside?
You can request a quote for 2-Ethylrutoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylrutoside?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylrutoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.