Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-
TL;DR: Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- (CAS 80994-43-0) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl] 2-acetyloxybenzoate
Also Known As: SK&F 88070, Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-, 1-Ethoxy-1-oxo-3-phenylpropan-2-yl 2-(acetyloxy)benzoate, (2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl 2-(acetyloxy)benzoate, [(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl] 2-acetyloxybenzoate
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 80994-43-0 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2OC(=O)C |
| InChIKey | QEQWDENJOLLKOL-SFHVURJKSA-N |
Product Overview
Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- (CAS 80994-43-0), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: [(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl] 2-acetyloxybenzoate.
Chemical Property Profile of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-
Property Insights of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-
The XLogP value of 3.8 indicates that Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-. Following Lipinski's Rule of Five, Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- has 0 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 Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-?
The CAS number of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- is 80994-43-0.
What is the molecular formula of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-?
The molecular formula of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- is C20H20O6.
What is the molecular weight of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-?
The molecular weight of Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- is 356.13 g/mol.
Where can I buy Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-?
You can request a quote for Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, alpha-((2-(acetyloxy)benzoyl)oxy)-, ethyl ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.