![2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate structure](/static/products/100/1004160-09-1.webp)
2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate
TL;DR: 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate (CAS 1004160-09-1) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-formylbenzoate
Also Known As: 2-[(2,5-dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate, [2-(2,5-dimethylanilino)-2-oxoethyl] 4-formylbenzoate
Technical Specifications
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.11575 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11575 Da |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)C=O |
| InChIKey | YKAXBRPDIBXKQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate
Property Insights of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate. Following Lipinski's Rule of Five, 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate?
The CAS number of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate is 1004160-09-1.
What is the molecular formula of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate?
The molecular formula of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate is C18H17NO4.
What is the molecular weight of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate?
The molecular weight of 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate is 311.11575 g/mol.
Where can I buy 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate?
You can request a quote for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate?
Yes, CoreyChem provides custom synthesis services for 2-[(2,5-Dimethylphenyl)amino]-2-oxoethyl 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.