Protocatechuic Acid
TL;DR: Protocatechuic Acid (CAS 99-50-3) is a chemical compound with molecular formula C7H6O4 and molecular weight 154.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydroxybenzoic acid
Also Known As: protocatechuic acid, 3,4-DIHYDROXYBENZOIC ACID, protocatechuate, Protocatehuic acid, 3,4-dihydroxybenzoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.02661 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02661 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| Melting Point | 221 |
| Vapor Pressure | 0.0000021 [mmHg] |
| Solubility | 18200 |
| SMILES | C1=CC(=C(C=C1C(=O)O)O)O |
| InChIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
Product Description
Applications: Protocatechuic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Protocatechuic Acid is a pharmaceutical intermediate identified by CAS number 99-50-3 and the molecular formula C7H6O4 and a molecular weight of 154.03 g/mol. Physically, the compound has a solubility: 18200. Synonyms include protocatechuic acid and 3,4-DIHYDROXYBENZOIC ACID.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Protocatechuic Acid
Property Insights of Protocatechuic Acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Protocatechuic Acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Protocatechuic Acid. Following Lipinski's Rule of Five, Protocatechuic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Protocatechuic Acid?
The CAS number of Protocatechuic Acid is 99-50-3.
What is the molecular formula of Protocatechuic Acid?
The molecular formula of Protocatechuic Acid is C7H6O4.
What is the molecular weight of Protocatechuic Acid?
The molecular weight of Protocatechuic Acid is 154.02661 g/mol.
What are the applications of Protocatechuic Acid?
Protocatechuic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Protocatechuic Acid?
You can request a quote for Protocatechuic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Protocatechuic Acid?
Yes, CoreyChem provides custom synthesis services for Protocatechuic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.