(+-)-Methyl mandelate
TL;DR: (+-)-Methyl mandelate (CAS 4358-87-6) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2-phenylacetate
Also Known As: Methyl mandelate, Methyl dl-mandelate, methyl 2-hydroxy-2-phenylacetate, Mandelic acid, methyl ester, Methyl phenylglycolate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 4358-87-6 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)O |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-Methyl mandelate (CAS 4358-87-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of (+-)-Methyl mandelate
Property Insights of (+-)-Methyl mandelate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-Methyl mandelate. With a topological polar surface area (TPSA) of 46.5 Ų, (+-)-Methyl mandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Methyl mandelate has 1 hydrogen bond donor(s) and 3 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 (+-)-Methyl mandelate?
The CAS number of (+-)-Methyl mandelate is 4358-87-6.
What is the molecular formula of (+-)-Methyl mandelate?
The molecular formula of (+-)-Methyl mandelate is C9H10O3.
What is the molecular weight of (+-)-Methyl mandelate?
The molecular weight of (+-)-Methyl mandelate is 166.06 g/mol.
Where can I buy (+-)-Methyl mandelate?
You can request a quote for (+-)-Methyl mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Methyl mandelate?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Methyl mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.