4-Methoxymandelic acid
TL;DR: 4-Methoxymandelic acid (CAS 10502-44-0) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(4-methoxyphenyl)acetic acid
Also Known As: 4-Methoxymandelic acid, DL-4-METHOXYMANDELIC ACID, L-4-Methoxymandelic acid, 2-hydroxy-2-(4-methoxyphenyl)acetic acid, D-4-Methoxymandelic acid
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 10502-44-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C(=O)O)O |
| InChIKey | ITECRQOOEQWFPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxymandelic acid (CAS 10502-44-0), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 2-hydroxy-2-(4-methoxyphenyl)acetic acid.
Chemical Property Profile of 4-Methoxymandelic acid
Property Insights of 4-Methoxymandelic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxymandelic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxymandelic acid. Following Lipinski's Rule of Five, 4-Methoxymandelic 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 4-Methoxymandelic acid?
The CAS number of 4-Methoxymandelic acid is 10502-44-0.
What is the molecular formula of 4-Methoxymandelic acid?
The molecular formula of 4-Methoxymandelic acid is C9H10O4.
What is the molecular weight of 4-Methoxymandelic acid?
The molecular weight of 4-Methoxymandelic acid is 182.06 g/mol.
Where can I buy 4-Methoxymandelic acid?
You can request a quote for 4-Methoxymandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxymandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxymandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.