![N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide structure](/static/products/4288/428858-01-9.webp)
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide
TL;DR: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide (CAS 428858-01-9) is a chemical compound with molecular formula C23H18ClN3O3S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide
Also Known As: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-phenoxyacetamide, N-[[3-(5-chlorobenzooxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-phenoxy-acetamide
| Molecular Formula | C23H18ClN3O3S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 5.34862 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.07574 |
| Heavy Atoms | 31 |
| Complexity | 1257.659 |
Chemical Identifiers
| CAS Number | 428858-01-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=CC=C2)C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide (CAS 428858-01-9), with molecular formula C23H18ClN3O3S and molecular weight 451.08 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide.
Chemical Property Profile of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide
Property Insights of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide
The XLogP value of 5.34862 indicates that N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide. Following Lipinski's Rule of Five, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide?
The CAS number of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide is 428858-01-9.
What is the molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide?
The molecular formula of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide is C23H18ClN3O3S.
What is the molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide?
The molecular weight of N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide is 451.08 g/mol.
Where can I buy N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide?
You can request a quote for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.