Methyl 2,4-dihydroxy-3-formylbenzoate
TL;DR: Methyl 2,4-dihydroxy-3-formylbenzoate (CAS 39503-26-9) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formyl-2,4-dihydroxybenzoate
Also Known As: Methyl 2,4-dihydroxy-3-formylbenzoate, methyl 3-formyl-2,4-dihydroxybenzoate, 5-carbomethoxy-6-hydroxysalicylaldehyde, Methyl 3-formyl-2,4-dihydroxy-benzoate, 659-999-2
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.6969 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 383.03384 |
Chemical Identifiers
| CAS Number | 39503-26-9 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C=C1)O)C=O)O |
Product Overview
Methyl 2,4-dihydroxy-3-formylbenzoate (CAS 39503-26-9), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: methyl 3-formyl-2,4-dihydroxybenzoate.
Chemical Property Profile of Methyl 2,4-dihydroxy-3-formylbenzoate
Property Insights of Methyl 2,4-dihydroxy-3-formylbenzoate
The XLogP value of 0.6969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-dihydroxy-3-formylbenzoate. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4-dihydroxy-3-formylbenzoate. Following Lipinski's Rule of Five, Methyl 2,4-dihydroxy-3-formylbenzoate 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 2,4-dihydroxy-3-formylbenzoate?
The CAS number of Methyl 2,4-dihydroxy-3-formylbenzoate is 39503-26-9.
What is the molecular formula of Methyl 2,4-dihydroxy-3-formylbenzoate?
The molecular formula of Methyl 2,4-dihydroxy-3-formylbenzoate is C9H8O5.
What is the molecular weight of Methyl 2,4-dihydroxy-3-formylbenzoate?
The molecular weight of Methyl 2,4-dihydroxy-3-formylbenzoate is 196.04 g/mol.
Where can I buy Methyl 2,4-dihydroxy-3-formylbenzoate?
You can request a quote for Methyl 2,4-dihydroxy-3-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-dihydroxy-3-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-dihydroxy-3-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.