alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid
TL;DR: alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid (CAS 85099-01-0) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetyloxybenzoyl)oxy-3-phenylpropanoic acid
Also Known As: Aabbpp, 2-{[2-(acetyloxy)benzoyl]oxy}-3-phenylpropanoic acid, alpha- benzoyloxy-beta-phenylpropionicacid, 2-(2-acetyloxybenzoyl)oxy-3-phenylpropanoic acid, alpha-(2-Acetoxy)benzoyloxy-beta-phenylpropionic acid
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 85099-01-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC(CC2=CC=CC=C2)C(=O)O |
| InChIKey | SJISLAAEQHZMML-UHFFFAOYSA-N |
Product Overview
alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid (CAS 85099-01-0), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: 2-(2-acetyloxybenzoyl)oxy-3-phenylpropanoic acid.
Chemical Property Profile of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid
Property Insights of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid. Following Lipinski's Rule of Five, alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid has 1 hydrogen bond donor(s) and 6 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 alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid?
The CAS number of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid is 85099-01-0.
What is the molecular formula of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid?
The molecular formula of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid is C18H16O6.
What is the molecular weight of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid?
The molecular weight of alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid is 328.09 g/mol.
Where can I buy alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid?
You can request a quote for alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-((2-(Acetyloxy)benzoyl)oxy)benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.