1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate
TL;DR: 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate (CAS 70133-78-7) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethoxy-1-oxo-3-pyridin-2-ylpropan-2-yl) benzoate
Also Known As: (1-ethoxy-1-oxo-3-pyridin-2-ylpropan-2-yl) benzoate, 1-ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate, (1-ethoxycarbonyl-2-pyridin-2-yl-ethyl) benzoate, 2-Pyridinepropanoicacid, a-(benzoyloxy)-, ethyl ester
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 70133-78-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=N1)OC(=O)C2=CC=CC=C2 |
| InChIKey | BNDKXXCYXQBHLE-UHFFFAOYSA-N |
Product Overview
1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate (CAS 70133-78-7), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: (1-ethoxy-1-oxo-3-pyridin-2-ylpropan-2-yl) benzoate.
Chemical Property Profile of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate
Property Insights of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate
The XLogP value of 3.0 indicates that 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate. Following Lipinski's Rule of Five, 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate has 0 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 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate?
The CAS number of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate is 70133-78-7.
What is the molecular formula of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate?
The molecular formula of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate is C17H17NO4.
What is the molecular weight of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate?
The molecular weight of 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate is 299.12 g/mol.
Where can I buy 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate?
You can request a quote for 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-1-oxo-3-(pyridin-2-yl)propan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.