![4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester structure](/static/products/3337/333758-67-1.webp)
4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester
TL;DR: 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester (CAS 333758-67-1) is a chemical compound with molecular formula C19H29N3O2S and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate
Also Known As: BAS 03058377, AJ-292/40706365, ethyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate, 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester, ethyl 4-{[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzoate
| Molecular Formula | C19H29N3O2S |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 3.4589 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.19806 |
| Heavy Atoms | 25 |
| Complexity | 610.0613 |
Chemical Identifiers
| CAS Number | 333758-67-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CC(NC(C2)(C)C)(C)C |
Product Overview
4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester (CAS 333758-67-1), with molecular formula C19H29N3O2S and molecular weight 363.20 g/mol. IUPAC: ethyl 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]benzoate.
Chemical Property Profile of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester
Property Insights of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester
The XLogP value of 3.4589 indicates that 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester has 3 hydrogen bond donor(s) and 4 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 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester?
The CAS number of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester is 333758-67-1.
What is the molecular formula of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester?
The molecular formula of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester is C19H29N3O2S.
What is the molecular weight of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester?
The molecular weight of 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester is 363.20 g/mol.
Where can I buy 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester?
You can request a quote for 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-thioureido]-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.