![4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide structure](/static/products/4256/425682-55-9.webp)
4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
TL;DR: 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 425682-55-9) is a chemical compound with molecular formula C22H12F5N3O2S and molecular weight 477.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 4-methyl-N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
| Molecular Formula | C22H12F5N3O2S |
|---|---|
| Molecular Weight | 477.06 g/mol |
| LogP | 5.62552 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.05704 |
| Heavy Atoms | 33 |
| Complexity | 1391.0665 |
Chemical Identifiers
| CAS Number | 425682-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C(=C(C(=C4F)F)F)F)F |
Product Overview
4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide (CAS 425682-55-9), with molecular formula C22H12F5N3O2S and molecular weight 477.06 g/mol. IUPAC: 4-methyl-N-[[2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Property Insights of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
The XLogP value of 5.62552 indicates that 4-methyl-N-{[2-(pentafluorophenyl)-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 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide. Following Lipinski's Rule of Five, 4-methyl-N-{[2-(pentafluorophenyl)-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 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The CAS number of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 425682-55-9.
What is the molecular formula of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular formula of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is C22H12F5N3O2S.
What is the molecular weight of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
The molecular weight of 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide is 477.06 g/mol.
Where can I buy 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
You can request a quote for 4-methyl-N-{[2-(pentafluorophenyl)-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 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.