methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
TL;DR: methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CAS 63252-09-5) is a chemical compound with molecular formula C28H30O12 and molecular weight 558.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 4-O-(2',6'-Dideoxy-.alpha.-L-lyxohexopyanosyl)-.epsilon.-rhodomycinone, methyl 4-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, Methyl 4-[(2,6-dideoxyhexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
| Molecular Formula | C28H30O12 |
|---|---|
| Molecular Weight | 558.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.1737 |
| Heavy Atoms | 40 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 63252-09-5 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)O)O |
| InChIKey | SJAZLAKASOOSOK-UHFFFAOYSA-N |
Product Overview
methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CAS 63252-09-5), with molecular formula C28H30O12 and molecular weight 558.17 g/mol. IUPAC: methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Property Insights of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate. The TPSA of 200.0 Ų indicates high polarity, suggesting methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate?
The CAS number of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is 63252-09-5.
What is the molecular formula of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate?
The molecular formula of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is C28H30O12.
What is the molecular weight of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate?
The molecular weight of methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate is 558.17 g/mol.
Where can I buy methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate?
You can request a quote for methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-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 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.