Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate
TL;DR: Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate (CAS 100519-35-5) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-hydroxypropanoyl)phenyl]-2-oxoacetate
Also Known As: Methyl (2-lactoylphenyl)(oxo)acetate #, 2-(2-Hydroxypropionyl)phenylglyoxylic acid, methyl ester, Methyl [2-(2-hydroxypropanoyl)phenyl](oxo)acetate, methyl 2-[2-(2-hydroxypropanoyl)phenyl]-2-oxoacetate, Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 100519-35-5 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1C(=O)C(=O)OC)O |
| InChIKey | XPKIOBUUTOTABW-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate (CAS 100519-35-5), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: methyl 2-[2-(2-hydroxypropanoyl)phenyl]-2-oxoacetate.
Chemical Property Profile of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate
Property Insights of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate. Following Lipinski's Rule of Five, Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate has 1 hydrogen bond donor(s) and 5 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 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate?
The CAS number of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate is 100519-35-5.
What is the molecular formula of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate?
The molecular formula of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate is C12H12O5.
What is the molecular weight of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate?
The molecular weight of Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate is 236.07 g/mol.
Where can I buy Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate?
You can request a quote for Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-hydroxy-1-oxopropyl)-alpha-oxobenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.