Ethyl 4-n-propylbenzoylformate
TL;DR: Ethyl 4-n-propylbenzoylformate (CAS 845790-55-8) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(4-propylphenyl)acetate
Also Known As: Ethyl 4-n-propylbenzoylformate, ethyl 2-oxo-2-(4-propylphenyl)acetate, Ethyl oxo(4-propylphenyl)acetate, ETHYL4-N-PROPYLBENZOYLFORMATE, Ethyl I+/--oxo-4-propylbenzeneacetate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.3849 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 365.269 |
Chemical Identifiers
| CAS Number | 845790-55-8 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C(=O)C(=O)OCC |
Product Overview
Ethyl 4-n-propylbenzoylformate (CAS 845790-55-8), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 2-oxo-2-(4-propylphenyl)acetate.
Chemical Property Profile of Ethyl 4-n-propylbenzoylformate
Property Insights of Ethyl 4-n-propylbenzoylformate
The XLogP value of 2.3849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-n-propylbenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-n-propylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-n-propylbenzoylformate has 0 hydrogen bond donor(s) and 3 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 Ethyl 4-n-propylbenzoylformate?
The CAS number of Ethyl 4-n-propylbenzoylformate is 845790-55-8.
What is the molecular formula of Ethyl 4-n-propylbenzoylformate?
The molecular formula of Ethyl 4-n-propylbenzoylformate is C13H16O3.
What is the molecular weight of Ethyl 4-n-propylbenzoylformate?
The molecular weight of Ethyl 4-n-propylbenzoylformate is 220.11 g/mol.
Where can I buy Ethyl 4-n-propylbenzoylformate?
You can request a quote for Ethyl 4-n-propylbenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-n-propylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-n-propylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.