Methyl Gentisate
TL;DR: Methyl Gentisate (CAS 2150-46-1) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dihydroxybenzoate
Also Known As: Methyl 2,5-dihydroxybenzoate, Methyl gentisate, methyl dihydroxybenzoate, Gentisic Acid Methyl Ester, methyl2,5-dihydroxybenzoate
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 2150-46-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)O)O |
| InChIKey | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl Gentisate (CAS 2150-46-1), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: methyl 2,5-dihydroxybenzoate.
Chemical Property Profile of Methyl Gentisate
Property Insights of Methyl Gentisate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Gentisate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl Gentisate. Following Lipinski's Rule of Five, Methyl Gentisate has 2 hydrogen bond donor(s) and 4 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 Gentisate?
The CAS number of Methyl Gentisate is 2150-46-1.
What is the molecular formula of Methyl Gentisate?
The molecular formula of Methyl Gentisate is C8H8O4.
What is the molecular weight of Methyl Gentisate?
The molecular weight of Methyl Gentisate is 168.04 g/mol.
Where can I buy Methyl Gentisate?
You can request a quote for Methyl Gentisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Gentisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Gentisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.