![N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide structure](/static/products/6424/642425-57-8.webp)
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide
TL;DR: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide (CAS 642425-57-8) is a chemical compound with molecular formula C24H17N3O3S2 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxy-5-methylphenyl)carbamothioyl)benzofuran-2-carboxamide, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzofuran-2-carboxamide, N-[[3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzofuran-2-carboxamide
| Molecular Formula | C24H17N3O3S2 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 5.85032 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.07114 |
| Heavy Atoms | 32 |
| Complexity | 1437.2457 |
Chemical Identifiers
| CAS Number | 642425-57-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide (CAS 642425-57-8), with molecular formula C24H17N3O3S2 and molecular weight 459.07 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide
Property Insights of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide
The XLogP value of 5.85032 indicates that N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide?
The CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide is 642425-57-8.
What is the molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide?
The molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide is C24H17N3O3S2.
What is the molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide?
The molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide is 459.07 g/mol.
Where can I buy N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide?
You can request a quote for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]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 N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.