4-Hydroxy-3-methoxy-mandelic acid
TL;DR: 4-Hydroxy-3-methoxy-mandelic acid (CAS 13244-77-4) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Also Known As: vanilmandelate, Vanillomandelate, Vanilmandelic acid, Vanillylmandelic acid, Vanillinmandelate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.05283 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | COC1=C(C=CC(=C1)[C@@H](C(=O)O)O)O |
| InChIKey | CGQCWMIAEPEHNQ-QMMMGPOBSA-N |
Chemical Property Profile of 4-Hydroxy-3-methoxy-mandelic acid
Property Insights of 4-Hydroxy-3-methoxy-mandelic acid
The XLogP value of -0.2 indicates that 4-Hydroxy-3-methoxy-mandelic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-methoxy-mandelic acid. Following Lipinski's Rule of Five, 4-Hydroxy-3-methoxy-mandelic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-3-methoxy-mandelic acid?
The CAS number of 4-Hydroxy-3-methoxy-mandelic acid is 13244-77-4.
What is the molecular formula of 4-Hydroxy-3-methoxy-mandelic acid?
The molecular formula of 4-Hydroxy-3-methoxy-mandelic acid is C9H10O5.
What is the molecular weight of 4-Hydroxy-3-methoxy-mandelic acid?
The molecular weight of 4-Hydroxy-3-methoxy-mandelic acid is 198.05283 g/mol.
Where can I buy 4-Hydroxy-3-methoxy-mandelic acid?
You can request a quote for 4-Hydroxy-3-methoxy-mandelic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-3-methoxy-mandelic acid?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-3-methoxy-mandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.