Maritimein
TL;DR: Maritimein (CAS 490-54-0) is a chemical compound with molecular formula C21H20O11 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Also Known As: Maritimein
| Molecular Formula | C21H20O11 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | -0.4017 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.10056 |
| Heavy Atoms | 32 |
| Complexity | 1077.6559 |
Chemical Identifiers
| CAS Number | 490-54-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Maritimein (CAS 490-54-0), with molecular formula C21H20O11 and molecular weight 448.10 g/mol. IUPAC: 2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one.
Chemical Property Profile of Maritimein
Property Insights of Maritimein
The XLogP value of -0.4017 indicates that Maritimein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.37 Ų indicates high polarity, suggesting Maritimein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Maritimein has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maritimein?
The CAS number of Maritimein is 490-54-0.
What is the molecular formula of Maritimein?
The molecular formula of Maritimein is C21H20O11.
What is the molecular weight of Maritimein?
The molecular weight of Maritimein is 448.10 g/mol.
Where can I buy Maritimein?
You can request a quote for Maritimein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maritimein?
Yes, KEHONG BIO provides custom synthesis services for Maritimein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.