4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate
TL;DR: 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate (CAS 47749-96-2) is a chemical compound with molecular formula C28H29NO5 and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(tert-butylamino)acetyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: EINECS 256-333-9, 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate, 4-[[amino]acetyl]-1,2-phenylenedi-p-toluate, 4-[[ amino]acetyl]-1,2-phenylenedi-p-toluate, 4-[[(1,1-Dimethylethyl)amino]acetyl]-1,2-phenylene di-p-toluate
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 5.31264 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1188.9613 |
Chemical Identifiers
| CAS Number | 47749-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC(C)(C)C)OC(=O)C3=CC=C(C=C3)C |
Product Overview
4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate (CAS 47749-96-2), with molecular formula C28H29NO5 and molecular weight 459.20 g/mol. IUPAC: [4-[2-(tert-butylamino)acetyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
Chemical Property Profile of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate
Property Insights of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate
The XLogP value of 5.31264 indicates that 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate. Following Lipinski's Rule of Five, 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate?
The CAS number of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate is 47749-96-2.
What is the molecular formula of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate?
The molecular formula of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate is C28H29NO5.
What is the molecular weight of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate?
The molecular weight of 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate is 459.20 g/mol.
Where can I buy 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate?
You can request a quote for 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.