![4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide structure](/static/products/4288/428822-70-2.webp)
4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
TL;DR: 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide (CAS 428822-70-2) is a chemical compound with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide, 4-(1,1-Dimethylethyl)-N-[[[4-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]benzamide, 4-tert-butyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 4-tert-butyl-N-({[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)benzamide, N-[[4-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-tert-butyl-benzamide
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 6.22752 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1283.6538 |
Chemical Identifiers
| CAS Number | 428822-70-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide (CAS 428822-70-2), with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol. IUPAC: 4-tert-butyl-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Property Insights of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
The XLogP value of 6.22752 indicates that 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The CAS number of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is 428822-70-2.
What is the molecular formula of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The molecular formula of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is C26H25N3O2S.
What is the molecular weight of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
The molecular weight of 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide is 443.17 g/mol.
Where can I buy 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
You can request a quote for 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.