![Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate structure](/static/products/1093/1093407-63-6.webp)
Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
TL;DR: Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate (CAS 1093407-63-6) is a chemical compound with molecular formula C14H18O8 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Also Known As: Hydroxyterephthalic acid, 2-Hydroxyterephthalic acid, methyl 2-(hexopyranosyloxy)benzoate, 2-Methoxycarbonylphenyl beta-D-glucopyranoside, 2-Methoxycarbonylphenyl b-D-glucopyranoside
| Molecular Formula | C14H18O8 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | -1.3481 |
| Topological Polar Surface Area | 125.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.10016 |
| Heavy Atoms | 22 |
| Complexity | 517.3192 |
Chemical Identifiers
| CAS Number | 1093407-63-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC2C(C(C(C(O2)CO)O)O)O |
Product Overview
Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate (CAS 1093407-63-6), with molecular formula C14H18O8 and molecular weight 314.10 g/mol. IUPAC: methyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate.
Chemical Property Profile of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
Property Insights of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
The XLogP value of -1.3481 indicates that Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate 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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate?
The CAS number of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate is 1093407-63-6.
What is the molecular formula of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate?
The molecular formula of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate is C14H18O8.
What is the molecular weight of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate?
The molecular weight of Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate is 314.10 g/mol.
Where can I buy Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate?
You can request a quote for Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.