![3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/4288/428825-97-2.webp)
3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428825-97-2) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide, 3-(3-METHYL-1-BENZOFURAN-2-CARBONYL)-1-[2-METHYL-5-(6-METHYL-1,3-BENZOXAZOL-2-YL)PHENYL]THIOUREA, 3-methyl-N-[[2-methyl-5-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]benzofuran-2-carboxamide
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 6.29306 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1547.5311 |
Chemical Identifiers
| CAS Number | 428825-97-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C |
Product Overview
3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428825-97-2), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 6.29306 indicates that 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 428825-97-2.
What is the molecular formula of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is C26H21N3O3S.
What is the molecular weight of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 455.13 g/mol.
Where can I buy 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]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-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.