![3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/4288/428842-99-3.webp)
3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428842-99-3) is a chemical compound with molecular formula C25H19N3O2S2 and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-1-benzofuran-2-carboxamide, 3-methyl-N-[[4-(6-methylbenzothiazol-2-yl)phenyl]thiocarbamoyl]benzofuran-2-carboxamide, 1-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]-3-(3-METHYL-1-BENZOFURAN-2-CARBONYL)THIOUREA
| Molecular Formula | C25H19N3O2S2 |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 6.45314 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.09186 |
| Heavy Atoms | 32 |
| Complexity | 1482.6934 |
Chemical Identifiers
| CAS Number | 428842-99-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5O4)C |
Product Overview
3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide (CAS 428842-99-3), with molecular formula C25H19N3O2S2 and molecular weight 457.09 g/mol. IUPAC: 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 6.45314 indicates that 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide 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 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-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-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 428842-99-3.
What is the molecular formula of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is C25H19N3O2S2.
What is the molecular weight of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide is 457.09 g/mol.
Where can I buy 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-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-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.