3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
TL;DR: 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid (CAS 102819-46-5) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: K 259-2, 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid, 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 102819-46-5 |
|---|---|
| SMILES | CCC(=CC)CC1=CC2=C(C(=C1C(=O)O)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| InChIKey | SYTAMFWHVQWAKV-UHFFFAOYSA-N |
Product Overview
3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid (CAS 102819-46-5), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Property Insights of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
The XLogP value of 4.2 indicates that 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid has 4 hydrogen bond donor(s) and 7 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 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid?
The CAS number of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid is 102819-46-5.
What is the molecular formula of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid?
The molecular formula of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid is C21H18O7.
What is the molecular weight of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid?
The molecular weight of 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid is 382.11 g/mol.
Where can I buy 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid?
You can request a quote for 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.