Methyl 3-formyl-2-hydroxybenzoate
TL;DR: Methyl 3-formyl-2-hydroxybenzoate (CAS 3775-05-1) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formyl-2-hydroxybenzoate
Also Known As: methyl 3-formyl-2-hydroxybenzoate, 3-methoxycarbonylsalicylaldehyde, methyl 3-formyl-2-hydroxy-benzoate, 2-Hydroxy-3-formylbenzoic acid methyl ester, 3-Formyl-2-hydroxybenzoic acid methyl ester
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 3775-05-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1O)C=O |
| InChIKey | KIGMFKZMNIHLSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-formyl-2-hydroxybenzoate (CAS 3775-05-1), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: methyl 3-formyl-2-hydroxybenzoate.
Chemical Property Profile of Methyl 3-formyl-2-hydroxybenzoate
Property Insights of Methyl 3-formyl-2-hydroxybenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-formyl-2-hydroxybenzoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-formyl-2-hydroxybenzoate. Following Lipinski's Rule of Five, Methyl 3-formyl-2-hydroxybenzoate has 1 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 3-formyl-2-hydroxybenzoate?
The CAS number of Methyl 3-formyl-2-hydroxybenzoate is 3775-05-1.
What is the molecular formula of Methyl 3-formyl-2-hydroxybenzoate?
The molecular formula of Methyl 3-formyl-2-hydroxybenzoate is C9H8O4.
What is the molecular weight of Methyl 3-formyl-2-hydroxybenzoate?
The molecular weight of Methyl 3-formyl-2-hydroxybenzoate is 180.04 g/mol.
Where can I buy Methyl 3-formyl-2-hydroxybenzoate?
You can request a quote for Methyl 3-formyl-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-formyl-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-formyl-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.