Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
TL;DR: Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate (CAS 54410-63-8) is a chemical compound with molecular formula C22H16O8 and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
Also Known As: eta-Isorhodomycinone, n-Isorhodomycinone, methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxo-5,12-dihydrotetracene-1-carboxylate, methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
| Molecular Formula | C22H16O8 |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0845 |
| Heavy Atoms | 30 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 54410-63-8 |
|---|---|
| SMILES | CCC1=C(C2=C(C=C1)C(=O)C3=C(C4=C(C=CC(=C4C(=C3C2=O)O)O)O)O)C(=O)OC |
| InChIKey | OMDREUAXDJZOKC-UHFFFAOYSA-N |
Product Overview
Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate (CAS 54410-63-8), with molecular formula C22H16O8 and molecular weight 408.08 g/mol. IUPAC: methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate.
Chemical Property Profile of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
Property Insights of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
The XLogP value of 4.4 indicates that Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate has 4 hydrogen bond donor(s) and 8 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 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate?
The CAS number of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate is 54410-63-8.
What is the molecular formula of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate?
The molecular formula of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate is C22H16O8.
What is the molecular weight of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate?
The molecular weight of Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate is 408.08 g/mol.
Where can I buy Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate?
You can request a quote for Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.