Methyl 2,6-dihydroxy-4-methoxybenzoate
TL;DR: Methyl 2,6-dihydroxy-4-methoxybenzoate (CAS 19722-76-0) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dihydroxy-4-methoxybenzoate
Also Known As: methyl 2,6-dihydroxy-4-methoxybenzoate, NCIOpen2_002169, 2,6-Dihydroxy-4-methoxybenzoic acid methyl ester, Benzoic acid, 2,6-dihydroxy-4-methoxy-, methyl ester, RefChem:157232
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 19722-76-0 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)O)C(=O)OC)O |
| InChIKey | JSZHZLWKXWFJCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,6-dihydroxy-4-methoxybenzoate (CAS 19722-76-0), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: methyl 2,6-dihydroxy-4-methoxybenzoate.
Chemical Property Profile of Methyl 2,6-dihydroxy-4-methoxybenzoate
Property Insights of Methyl 2,6-dihydroxy-4-methoxybenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dihydroxy-4-methoxybenzoate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,6-dihydroxy-4-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 2,6-dihydroxy-4-methoxybenzoate has 2 hydrogen bond donor(s) and 5 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 2,6-dihydroxy-4-methoxybenzoate?
The CAS number of Methyl 2,6-dihydroxy-4-methoxybenzoate is 19722-76-0.
What is the molecular formula of Methyl 2,6-dihydroxy-4-methoxybenzoate?
The molecular formula of Methyl 2,6-dihydroxy-4-methoxybenzoate is C9H10O5.
What is the molecular weight of Methyl 2,6-dihydroxy-4-methoxybenzoate?
The molecular weight of Methyl 2,6-dihydroxy-4-methoxybenzoate is 198.05 g/mol.
Where can I buy Methyl 2,6-dihydroxy-4-methoxybenzoate?
You can request a quote for Methyl 2,6-dihydroxy-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-dihydroxy-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dihydroxy-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.