![2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide structure](/static/products/5903/590396-68-2.webp)
2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
TL;DR: 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 590396-68-2) is a chemical compound with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide, 2-bromo-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carba, 2-bromo-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, Benzamide,2-bromo-N-[[[2- -5-benzoxazolyl]amino]thioxomethyl]-, 2-bromo-N-[[2-(2,3-dimethylphenyl)benzooxazol-5-yl]thiocarbamoyl]benzamide
| Molecular Formula | C23H18BrN3O2S |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 6.00094 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.0303 |
| Heavy Atoms | 30 |
| Complexity | 1282.6798 |
Chemical Identifiers
| CAS Number | 590396-68-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)C |
Product Overview
2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 590396-68-2), with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol. IUPAC: 2-bromo-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Property Insights of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
The XLogP value of 6.00094 indicates that 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-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 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-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 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The CAS number of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 590396-68-2.
What is the molecular formula of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular formula of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is C23H18BrN3O2S.
What is the molecular weight of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular weight of 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 479.03 g/mol.
Where can I buy 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
You can request a quote for 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-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 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.