Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
TL;DR: Benzoic acid, 3-formyl-4-hydroxy-, methyl ester (CAS 53571-49-6) 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-4-hydroxybenzoate
Also Known As: Methyl 3-formyl-4-hydroxybenzoate, 5-Carbomethoxysalicylaldehyde, Benzoic acid, 3-formyl-4-hydroxy-, methyl ester, Methyl 4-hydroxyisophthalaldehydate, 3-Formyl-4-hydroxy-benzoic acid methyl ester
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.4 |
| 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 | 53571-49-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)C=O |
| InChIKey | ADSJCWKOKYOJSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-formyl-4-hydroxy-, methyl ester (CAS 53571-49-6), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: methyl 3-formyl-4-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
Property Insights of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-formyl-4-hydroxy-, methyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-formyl-4-hydroxy-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-formyl-4-hydroxy-, methyl ester 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 Benzoic acid, 3-formyl-4-hydroxy-, methyl ester?
The CAS number of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester is 53571-49-6.
What is the molecular formula of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester?
The molecular formula of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester is C9H8O4.
What is the molecular weight of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester?
The molecular weight of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester is 180.04 g/mol.
Where can I buy Benzoic acid, 3-formyl-4-hydroxy-, methyl ester?
You can request a quote for Benzoic acid, 3-formyl-4-hydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-formyl-4-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-formyl-4-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.