Ethyl 4-dimethylaminobenzoylformate
TL;DR: Ethyl 4-dimethylaminobenzoylformate (CAS 41116-24-9) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(dimethylamino)phenyl]-2-oxoacetate
Also Known As: Ethyl 4-dimethylaminobenzoylformate, Ethyl 2-(4-(dimethylamino)phenyl)-2-oxoacetate, ethyl 2-[4-(dimethylamino)phenyl]-2-oxoacetate, ethyl [4-(dimethylamino)phenyl](oxo)acetate, ETHYL 4-(N,N-DIMETHYLAMINO)BENZOYLFORMATE
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 41116-24-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)N(C)C |
| InChIKey | IEQWYUJSPBZCTP-UHFFFAOYSA-N |
Product Overview
Ethyl 4-dimethylaminobenzoylformate (CAS 41116-24-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: ethyl 2-[4-(dimethylamino)phenyl]-2-oxoacetate.
Chemical Property Profile of Ethyl 4-dimethylaminobenzoylformate
Property Insights of Ethyl 4-dimethylaminobenzoylformate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-dimethylaminobenzoylformate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 4-dimethylaminobenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-dimethylaminobenzoylformate has 0 hydrogen bond donor(s) and 4 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-dimethylaminobenzoylformate?
The CAS number of Ethyl 4-dimethylaminobenzoylformate is 41116-24-9.
What is the molecular formula of Ethyl 4-dimethylaminobenzoylformate?
The molecular formula of Ethyl 4-dimethylaminobenzoylformate is C12H15NO3.
What is the molecular weight of Ethyl 4-dimethylaminobenzoylformate?
The molecular weight of Ethyl 4-dimethylaminobenzoylformate is 221.11 g/mol.
Where can I buy Ethyl 4-dimethylaminobenzoylformate?
You can request a quote for Ethyl 4-dimethylaminobenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-dimethylaminobenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-dimethylaminobenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.