![N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide structure](/static/products/4288/428843-90-7.webp)
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide (CAS 428843-90-7) is a chemical compound with molecular formula C24H20ClN3O2S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide, N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-4-(propan-2-yl)benzamide, N-[(3-benzooxazol-2-yl-4-chloro-phenyl)thiocarbamoyl]-4-propan-2-yl-benzamide
| Molecular Formula | C24H20ClN3O2S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 6.3984 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.09647 |
| Heavy Atoms | 31 |
| Complexity | 1232.5608 |
Chemical Identifiers
| CAS Number | 428843-90-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide (CAS 428843-90-7), with molecular formula C24H20ClN3O2S and molecular weight 449.10 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide
The XLogP value of 6.3984 indicates that N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide 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-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide 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-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide is 428843-90-7.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide is C24H20ClN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide is 449.10 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide 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-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.