![4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide structure](/static/products/587/587850-47-3.png)
4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide (CAS 587850-47-3) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
Also Known As: AN-329/42101000, 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide, 4-tert-butyl-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)benzamide, 4-tert-butyl-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazino}carbothioyl)benzamide, 4-tert-butyl-N-({2-[(2,4-dimethylphenoxy)acetyl]hydrazinyl}carbonothioyl)benzamide
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.31544 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 902.5088 |
Chemical Identifiers
| CAS Number | 587850-47-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide (CAS 587850-47-3), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
The XLogP value of 3.31544 indicates that 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide 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-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is 587850-47-3.
What is the molecular formula of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is C22H27N3O3S.
What is the molecular weight of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide is 413.18 g/mol.
Where can I buy 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.