3-Benzoyl-2-methyllactic acid
TL;DR: 3-Benzoyl-2-methyllactic acid (CAS 13299-97-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid
Also Known As: 3-Benzoyl-2-methyllactic acid, 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid, 2-hydroxy-2-methyl-4-oxo-4-phenyl-butyric acid, Benzenebutanoic acid, a-hydroxy-a-methyl-g-oxo-, Benzenebutanoic acid, alpha-hydroxy-alpha-methyl-gamma-oxo-
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 13299-97-3 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=CC=C1)(C(=O)O)O |
| InChIKey | KLQDKKWLFNZONJ-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-2-methyllactic acid (CAS 13299-97-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 3-Benzoyl-2-methyllactic acid
Property Insights of 3-Benzoyl-2-methyllactic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-2-methyllactic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-2-methyllactic acid. Following Lipinski's Rule of Five, 3-Benzoyl-2-methyllactic acid has 2 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 3-Benzoyl-2-methyllactic acid?
The CAS number of 3-Benzoyl-2-methyllactic acid is 13299-97-3.
What is the molecular formula of 3-Benzoyl-2-methyllactic acid?
The molecular formula of 3-Benzoyl-2-methyllactic acid is C11H12O4.
What is the molecular weight of 3-Benzoyl-2-methyllactic acid?
The molecular weight of 3-Benzoyl-2-methyllactic acid is 208.07 g/mol.
Where can I buy 3-Benzoyl-2-methyllactic acid?
You can request a quote for 3-Benzoyl-2-methyllactic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-methyllactic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-methyllactic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.