Methyl tetra-O-methylcarminate
TL;DR: Methyl tetra-O-methylcarminate (CAS 73863-50-0) is a chemical compound with molecular formula C27H30O13 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
Also Known As: Methyl tetra-O-methylcarminate, METHYL TETRA-O-METHYLCARMINATE [MI], 3,5,6,8-TETRA-O-METHYLCARMINIC ACID METHYL ESTER, 2-anthracenecarboxylic acid, 7-, A-d-glucopyranosyl-9,10-dihydro-3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-, methyl ester
| Molecular Formula | C27H30O13 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.16864 |
| Heavy Atoms | 40 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 73863-50-0 |
|---|---|
| SMILES | CC1=C2C(=CC(=C1C(=O)OC)OC)C(=O)C3=C(C2=O)C(=C(C(=C3OC)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC |
| InChIKey | RVDBGCJUPZBQQQ-JLDVBWROSA-N |
Product Overview
Methyl tetra-O-methylcarminate (CAS 73863-50-0), with molecular formula C27H30O13 and molecular weight 562.17 g/mol. IUPAC: methyl 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate.
Chemical Property Profile of Methyl tetra-O-methylcarminate
Property Insights of Methyl tetra-O-methylcarminate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl tetra-O-methylcarminate. The TPSA of 188.0 Ų indicates high polarity, suggesting Methyl tetra-O-methylcarminate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl tetra-O-methylcarminate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl tetra-O-methylcarminate?
The CAS number of Methyl tetra-O-methylcarminate is 73863-50-0.
What is the molecular formula of Methyl tetra-O-methylcarminate?
The molecular formula of Methyl tetra-O-methylcarminate is C27H30O13.
What is the molecular weight of Methyl tetra-O-methylcarminate?
The molecular weight of Methyl tetra-O-methylcarminate is 562.17 g/mol.
Where can I buy Methyl tetra-O-methylcarminate?
You can request a quote for Methyl tetra-O-methylcarminate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl tetra-O-methylcarminate?
Yes, KEHONG BIO provides custom synthesis services for Methyl tetra-O-methylcarminate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.