![N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide structure](/static/products/4284/428451-35-8.webp)
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide
TL;DR: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide (CAS 428451-35-8) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide
Also Known As: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-3-chlorobenzamide, N-[(5-benzooxazol-2-yl-2-chloro-phenyl)thiocarbamoyl]-3-chloro-benzamide
| Molecular Formula | C21H13Cl2N3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.9284 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 |
| Heavy Atoms | 29 |
| Complexity | 1206.5686 |
Chemical Identifiers
| CAS Number | 428451-35-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)Cl |
Product Overview
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide (CAS 428451-35-8), with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide.
Chemical Property Profile of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide
Property Insights of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide
The XLogP value of 5.9284 indicates that N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide 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 N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide?
The CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide is 428451-35-8.
What is the molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide?
The molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide is C21H13Cl2N3O2S.
What is the molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide?
The molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide is 441.01 g/mol.
Where can I buy N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide?
You can request a quote for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.