2-(Benzyloxy)-2-oxoacetic acid
TL;DR: 2-(Benzyloxy)-2-oxoacetic acid (CAS 35448-14-7) 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.
2-oxo-2-phenylmethoxyacetic acid
Also Known As: (Benzyloxy)(oxo)acetic acid, BENZYL HYDROGEN OXALATE, 2-(BENZYLOXY)-2-OXOACETIC ACID, 2-oxo-2-phenylmethoxyacetic acid, oxalic acid benzyl ester
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| 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 | 35448-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(=O)O |
| InChIKey | VYLDBYOSHBXGNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzyloxy)-2-oxoacetic acid (CAS 35448-14-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 2-oxo-2-phenylmethoxyacetic acid.
Chemical Property Profile of 2-(Benzyloxy)-2-oxoacetic acid
Property Insights of 2-(Benzyloxy)-2-oxoacetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyloxy)-2-oxoacetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyloxy)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(Benzyloxy)-2-oxoacetic acid 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 2-(Benzyloxy)-2-oxoacetic acid?
The CAS number of 2-(Benzyloxy)-2-oxoacetic acid is 35448-14-7.
What is the molecular formula of 2-(Benzyloxy)-2-oxoacetic acid?
The molecular formula of 2-(Benzyloxy)-2-oxoacetic acid is C9H8O4.
What is the molecular weight of 2-(Benzyloxy)-2-oxoacetic acid?
The molecular weight of 2-(Benzyloxy)-2-oxoacetic acid is 180.04 g/mol.
Where can I buy 2-(Benzyloxy)-2-oxoacetic acid?
You can request a quote for 2-(Benzyloxy)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyloxy)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyloxy)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.