Methyl (R)-(-)-mandelate
TL;DR: Methyl (R)-(-)-mandelate (CAS 20698-91-3) 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 (2R)-2-hydroxy-2-phenylacetate
Also Known As: Methyl (R)-(-)-mandelate, (R)-(-)-Methyl mandelate, Methyl mandelate, (r)-methyl mandelate, methyl (2R)-2-hydroxy-2-phenylacetate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.893 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 255.73598 |
Chemical Identifiers
| CAS Number | 20698-91-3 |
|---|---|
| SMILES | COC(=O)[C@@H](C1=CC=CC=C1)O |
Product Overview
Methyl (R)-(-)-mandelate (CAS 20698-91-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl (2R)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Methyl (R)-(-)-mandelate
Property Insights of Methyl (R)-(-)-mandelate
The XLogP value of 0.893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (R)-(-)-mandelate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl (R)-(-)-mandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (R)-(-)-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 (R)-(-)-mandelate?
The CAS number of Methyl (R)-(-)-mandelate is 20698-91-3.
What is the molecular formula of Methyl (R)-(-)-mandelate?
The molecular formula of Methyl (R)-(-)-mandelate is C9H10O3.
What is the molecular weight of Methyl (R)-(-)-mandelate?
The molecular weight of Methyl (R)-(-)-mandelate is 166.06 g/mol.
Where can I buy Methyl (R)-(-)-mandelate?
You can request a quote for Methyl (R)-(-)-mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (R)-(-)-mandelate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (R)-(-)-mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.