Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
TL;DR: Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate (CAS 127172-90-1) is a chemical compound with molecular formula C22H20O7 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
Also Known As: K 259-3
| Molecular Formula | C22H20O7 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1209 |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 127172-90-1 |
|---|---|
| SMILES | CCC(=CC)CC1=CC2=C(C(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| InChIKey | UTZCWJUJEFOBBU-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate (CAS 127172-90-1), with molecular formula C22H20O7 and molecular weight 396.12 g/mol. IUPAC: methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
Property Insights of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
The XLogP value of 4.6 indicates that Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate has 3 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 Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate?
The CAS number of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate is 127172-90-1.
What is the molecular formula of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate?
The molecular formula of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate is C22H20O7.
What is the molecular weight of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate?
The molecular weight of Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate is 396.12 g/mol.
Where can I buy Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate?
You can request a quote for Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-ethylbut-2-enyl)-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.