Ethoxydihydroisomorellin
TL;DR: Ethoxydihydroisomorellin (CAS 55221-73-3) is a chemical compound with molecular formula C35H42O8 and molecular weight 590.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[16-ethoxy-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
Also Known As: Ethoxydihydroisomorellin, 2-Butenal, 4-[6-ethoxy-3a,4,5,6,6a,7-hexahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-, 4-[6-Ethoxy-3a,4,5,6,6a,7-hexahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-3h,11h-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl ]-2-methyl-2-butenal
| Molecular Formula | C35H42O8 |
|---|---|
| Molecular Weight | 590.29 g/mol |
| LogP | 5.722 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.28796 |
| Heavy Atoms | 43 |
| Complexity | 1522.4269 |
Chemical Identifiers
| CAS Number | 55221-73-3 |
|---|---|
| SMILES | CCOC1C2CC3C(OC(C2=O)(C34C1C(=O)C5=C(O4)C(=C6C(=C5O)C=CC(O6)(C)C)CC=C(C)C)CC=C(C)C=O)(C)C |
Product Overview
Ethoxydihydroisomorellin (CAS 55221-73-3), with molecular formula C35H42O8 and molecular weight 590.29 g/mol. IUPAC: 4-[16-ethoxy-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal.
Chemical Property Profile of Ethoxydihydroisomorellin
Property Insights of Ethoxydihydroisomorellin
The XLogP value of 5.722 indicates that Ethoxydihydroisomorellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethoxydihydroisomorellin. Following Lipinski's Rule of Five, Ethoxydihydroisomorellin has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethoxydihydroisomorellin?
The CAS number of Ethoxydihydroisomorellin is 55221-73-3.
What is the molecular formula of Ethoxydihydroisomorellin?
The molecular formula of Ethoxydihydroisomorellin is C35H42O8.
What is the molecular weight of Ethoxydihydroisomorellin?
The molecular weight of Ethoxydihydroisomorellin is 590.29 g/mol.
Where can I buy Ethoxydihydroisomorellin?
You can request a quote for Ethoxydihydroisomorellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxydihydroisomorellin?
Yes, KEHONG BIO provides custom synthesis services for Ethoxydihydroisomorellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.