Ethyl 4-n-butylbenzoylformate
TL;DR: Ethyl 4-n-butylbenzoylformate (CAS 80120-35-0) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-butylphenyl)-2-oxoacetate
Also Known As: Ethyl 4-n-butylbenzoylformate, ethyl 2-(4-butylphenyl)-2-oxoacetate, ethyl (4-butylphenyl)(oxo)acetate, 9929AE, ethyl2-(4-butylphenyl)-2-oxoacetate
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.775 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 378.95874 |
Chemical Identifiers
| CAS Number | 80120-35-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)C(=O)OCC |
Product Overview
Ethyl 4-n-butylbenzoylformate (CAS 80120-35-0), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: ethyl 2-(4-butylphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-n-butylbenzoylformate
Property Insights of Ethyl 4-n-butylbenzoylformate
The XLogP value of 2.775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-n-butylbenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-n-butylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-n-butylbenzoylformate 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-butylbenzoylformate?
The CAS number of Ethyl 4-n-butylbenzoylformate is 80120-35-0.
What is the molecular formula of Ethyl 4-n-butylbenzoylformate?
The molecular formula of Ethyl 4-n-butylbenzoylformate is C14H18O3.
What is the molecular weight of Ethyl 4-n-butylbenzoylformate?
The molecular weight of Ethyl 4-n-butylbenzoylformate is 234.13 g/mol.
Where can I buy Ethyl 4-n-butylbenzoylformate?
You can request a quote for Ethyl 4-n-butylbenzoylformate 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-butylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-n-butylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.