2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate
TL;DR: 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate (CAS 6577-44-2) is a chemical compound with molecular formula C23H23NO9 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-dimethylanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate
Also Known As: [2-(2,4-dimethylanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate|T0509-1179|(2,4-dimethylphenyl)carbamoylmethyl 3,4,5-triacetyloxybenzoate|2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate
| Molecular Formula | C23H23NO9 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 2.87484 |
| Topological Polar Surface Area | 134.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.13727 |
| Heavy Atoms | 33 |
| Complexity | 1083.9054 |
Chemical Identifiers
| CAS Number | 6577-44-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C)C |
Product Overview
2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate (CAS 6577-44-2), with molecular formula C23H23NO9 and molecular weight 457.14 g/mol. IUPAC: [2-(2,4-dimethylanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate.
Chemical Property Profile of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate
Property Insights of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate
The XLogP value of 2.87484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate. The TPSA of 134.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate. Following Lipinski's Rule of Five, 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate has 1 hydrogen bond donor(s) and 9 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-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate?
The CAS number of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate is 6577-44-2.
What is the molecular formula of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate?
The molecular formula of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate is C23H23NO9.
What is the molecular weight of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate?
The molecular weight of 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate is 457.14 g/mol.
Where can I buy 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate?
You can request a quote for 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dimethylanilino)-2-oxoethyl 3,4,5-tris(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.