![3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/4288/428824-70-8.webp)
3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428824-70-8) is a chemical compound with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-{[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide, 3-methyl-N-[[2-(4-methylphenyl)benzooxazol-5-yl]thiocarbamoyl]benzofuran-2-carboxamide, 1-(3-METHYL-1-BENZOFURAN-2-CARBONYL)-3-[2-(4-METHYLPHENYL)-1,3-BENZOXAZOL-5-YL]THIOUREA
| Molecular Formula | C25H19N3O3S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 5.98464 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.11472 |
| Heavy Atoms | 32 |
| Complexity | 1481.9385 |
Chemical Identifiers
| CAS Number | 428824-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C |
Product Overview
3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428824-70-8), with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol. IUPAC: 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 5.98464 indicates that 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is 428824-70-8.
What is the molecular formula of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is C25H19N3O3S.
What is the molecular weight of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide is 441.11 g/mol.
Where can I buy 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.