5-Formylsalicylic acid
TL;DR: 5-Formylsalicylic acid (CAS 616-76-2) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-formyl-2-hydroxybenzoic acid
Also Known As: 5-Formylsalicylic acid, 5-Formyl-2-hydroxybenzoic acid, 5-Formylsalicylicacid, 2-Hydroxy-5-formylbenzoic acid, 5-formylsalicylic acide
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 616-76-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)C(=O)O)O |
| InChIKey | UTCFOFWMEPQCSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Formylsalicylic acid (CAS 616-76-2), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 5-formyl-2-hydroxybenzoic acid.
Chemical Property Profile of 5-Formylsalicylic acid
Property Insights of 5-Formylsalicylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formylsalicylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Formylsalicylic acid. Following Lipinski's Rule of Five, 5-Formylsalicylic acid 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 5-Formylsalicylic acid?
The CAS number of 5-Formylsalicylic acid is 616-76-2.
What is the molecular formula of 5-Formylsalicylic acid?
The molecular formula of 5-Formylsalicylic acid is C8H6O4.
What is the molecular weight of 5-Formylsalicylic acid?
The molecular weight of 5-Formylsalicylic acid is 166.03 g/mol.
Where can I buy 5-Formylsalicylic acid?
You can request a quote for 5-Formylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Formylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.