Hydroxymethyl 2-oxo-2-phenylacetate
TL;DR: Hydroxymethyl 2-oxo-2-phenylacetate (CAS 81065-85-2) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxymethyl 2-oxo-2-phenylacetate
Also Known As: hydroxymethyl oxo(phenyl)acetate, hydroxymethyl 2-oxo-2-phenylacetate, Hydroxymethyl 2-oxo-2-phenyl-acetate, Benzeneacetic acid, (hydroxymethyl)-alpha-oxo-
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 81065-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)OCO |
| InChIKey | XZOTYDBWEAKMLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxymethyl 2-oxo-2-phenylacetate (CAS 81065-85-2), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: hydroxymethyl 2-oxo-2-phenylacetate.
Chemical Property Profile of Hydroxymethyl 2-oxo-2-phenylacetate
Property Insights of Hydroxymethyl 2-oxo-2-phenylacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxymethyl 2-oxo-2-phenylacetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxymethyl 2-oxo-2-phenylacetate. Following Lipinski's Rule of Five, Hydroxymethyl 2-oxo-2-phenylacetate has 1 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 Hydroxymethyl 2-oxo-2-phenylacetate?
The CAS number of Hydroxymethyl 2-oxo-2-phenylacetate is 81065-85-2.
What is the molecular formula of Hydroxymethyl 2-oxo-2-phenylacetate?
The molecular formula of Hydroxymethyl 2-oxo-2-phenylacetate is C9H8O4.
What is the molecular weight of Hydroxymethyl 2-oxo-2-phenylacetate?
The molecular weight of Hydroxymethyl 2-oxo-2-phenylacetate is 180.04 g/mol.
Where can I buy Hydroxymethyl 2-oxo-2-phenylacetate?
You can request a quote for Hydroxymethyl 2-oxo-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxymethyl 2-oxo-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Hydroxymethyl 2-oxo-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.