methyl (2S)-2-hydroxy-2-phenylacetate
TL;DR: methyl (2S)-2-hydroxy-2-phenylacetate (CAS 771-90-4) 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 (2S)-2-hydroxy-2-phenylacetate
Also Known As: Methyl (S)-(+)-mandelate, (S)-(+)-Methyl mandelate, methyl d-mandelate, Methyl mandelate, (s)-methyl mandelate
| 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 | 771-90-4 |
|---|---|
| SMILES | COC(=O)[C@H](C1=CC=CC=C1)O |
| InChIKey | ITATYELQCJRCCK-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl (2S)-2-hydroxy-2-phenylacetate (CAS 771-90-4), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl (2S)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of methyl (2S)-2-hydroxy-2-phenylacetate
Property Insights of methyl (2S)-2-hydroxy-2-phenylacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-hydroxy-2-phenylacetate. With a topological polar surface area (TPSA) of 46.5 Ų, methyl (2S)-2-hydroxy-2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-hydroxy-2-phenylacetate 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 (2S)-2-hydroxy-2-phenylacetate?
The CAS number of methyl (2S)-2-hydroxy-2-phenylacetate is 771-90-4.
What is the molecular formula of methyl (2S)-2-hydroxy-2-phenylacetate?
The molecular formula of methyl (2S)-2-hydroxy-2-phenylacetate is C9H10O3.
What is the molecular weight of methyl (2S)-2-hydroxy-2-phenylacetate?
The molecular weight of methyl (2S)-2-hydroxy-2-phenylacetate is 166.06 g/mol.
Where can I buy methyl (2S)-2-hydroxy-2-phenylacetate?
You can request a quote for methyl (2S)-2-hydroxy-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-hydroxy-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-hydroxy-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.