![2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate structure](/static/products/387/387841-94-3.png)
2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate
TL;DR: 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate (CAS 387841-94-3) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-tert-butylbenzoate
Also Known As: 2-[(2,5-dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate, [2-(2,5-dimethylanilino)-2-oxoethyl] 4-tert-butylbenzoate
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 4.39644 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 770.71844 |
Chemical Identifiers
| CAS Number | 387841-94-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate (CAS 387841-94-3), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-tert-butylbenzoate.
Chemical Property Profile of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate
Property Insights of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate
The XLogP value of 4.39644 indicates that 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate 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 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate?
The CAS number of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate is 387841-94-3.
What is the molecular formula of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate?
The molecular formula of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate is C21H25NO3.
What is the molecular weight of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate?
The molecular weight of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate is 339.18 g/mol.
Where can I buy 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate?
You can request a quote for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.