![N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide structure](/static/products/461/461653-45-2.png)
N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide
TL;DR: N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide (CAS 461653-45-2) is a chemical compound with molecular formula C26H18ClN3O3S and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide
Also Known As: N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide, N-((2-(5-chloronaphthalen-1-yl)benzo[d]oxazol-5-yl)carbamothioyl)-2-phenoxyacetamide, N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide, N-[[2-(5-chloronaphthalen-1-yl)benzooxazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide
| Molecular Formula | C26H18ClN3O3S |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 6.1934 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.07574 |
| Heavy Atoms | 34 |
| Complexity | 1518.369 |
Chemical Identifiers
| CAS Number | 461653-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl |
Product Overview
N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide (CAS 461653-45-2), with molecular formula C26H18ClN3O3S and molecular weight 487.08 g/mol. IUPAC: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide.
Chemical Property Profile of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide
Property Insights of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide
The XLogP value of 6.1934 indicates that N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide. Following Lipinski's Rule of Five, N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide 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 N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide?
The CAS number of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide is 461653-45-2.
What is the molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide?
The molecular formula of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide is C26H18ClN3O3S.
What is the molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide?
The molecular weight of N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide is 487.08 g/mol.
Where can I buy N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide?
You can request a quote for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-phenoxyacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.