3,4-Dihydroxybenzaldehyde
TL;DR: 3,4-Dihydroxybenzaldehyde (CAS 139-85-5) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydroxybenzaldehyde
Also Known As: 3,4-Dihydroxybenzaldehyde, Protocatechualdehyde, Rancinamycin IV, PROTOCATECHUIC ALDEHYDE, catechaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.0317 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 Da |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Vapor Pressure | 0.000116 [mmHg] |
| SMILES | C1=CC(=C(C=C1C=O)O)O |
| InChIKey | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dihydroxybenzaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,4-Dihydroxybenzaldehyde (CAS 139-85-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 3,4-Dihydroxybenzaldehyde (CAS 139-85-5) has the molecular formula C7H6O3 and a molecular weight of 138.03 g/mol. It is also known as 3,4-Dihydroxybenzaldehyde and Protocatechualdehyde.
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 3,4-Dihydroxybenzaldehyde
Property Insights of 3,4-Dihydroxybenzaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxybenzaldehyde. With a topological polar surface area (TPSA) of 57.5 Ų, 3,4-Dihydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroxybenzaldehyde has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroxybenzaldehyde?
The CAS number of 3,4-Dihydroxybenzaldehyde is 139-85-5.
What is the molecular formula of 3,4-Dihydroxybenzaldehyde?
The molecular formula of 3,4-Dihydroxybenzaldehyde is C7H6O3.
What is the molecular weight of 3,4-Dihydroxybenzaldehyde?
The molecular weight of 3,4-Dihydroxybenzaldehyde is 138.0317 g/mol.
What are the applications of 3,4-Dihydroxybenzaldehyde?
3,4-Dihydroxybenzaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,4-Dihydroxybenzaldehyde...
Where can I buy 3,4-Dihydroxybenzaldehyde?
You can request a quote for 3,4-Dihydroxybenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydroxybenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydroxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.