Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate
TL;DR: Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate (CAS 127442-14-2) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-tert-butylbenzoyl)amino]benzoate
Also Known As: TimTec1_000782, ethyl 4-[(4-tert-butylbenzoyl)amino]benzoate, ETHYL 4-(4-TERT-BUTYLBENZAMIDO)BENZOATE, ethyl 4-[(4-tert-butylbenzene)amido]benzoate, Ethyl 4-[[4-(1,1-dimethylethyl)benzoyl]amino]benzoate
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 127442-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | BYSXJGVIGOOMLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate (CAS 127442-14-2), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: ethyl 4-[(4-tert-butylbenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate
Property Insights of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate
The XLogP value of 4.6 indicates that Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate has 1 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-((4-tert-butylbenzoyl)amino)benzoate?
The CAS number of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate is 127442-14-2.
What is the molecular formula of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate?
The molecular formula of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate is C20H23NO3.
What is the molecular weight of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate?
The molecular weight of Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate is 325.17 g/mol.
Where can I buy Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate?
You can request a quote for Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-tert-butylbenzoyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.