![4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide structure](/static/products/531/531534-24-4.png)
4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide
TL;DR: 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide (CAS 531534-24-4) is a chemical compound with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide, 4-tert-butyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, 4-tert-butyl-N-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide, N-[[2-(3,4-dimethylphenyl)benzooxazol-5-yl]thiocarbamoyl]-4-tert-butyl-benzamide
| Molecular Formula | C27H27N3O2S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 6.53594 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.1824 |
| Heavy Atoms | 33 |
| Complexity | 1348.3019 |
Chemical Identifiers
| CAS Number | 531534-24-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide (CAS 531534-24-4), with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol. IUPAC: 4-tert-butyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide
Property Insights of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide
The XLogP value of 6.53594 indicates that 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide?
The CAS number of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide is 531534-24-4.
What is the molecular formula of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide?
The molecular formula of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide is C27H27N3O2S.
What is the molecular weight of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide?
The molecular weight of 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide is 457.18 g/mol.
Where can I buy 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide?
You can request a quote for 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)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-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.