![N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide structure](/static/products/5285/528576-07-0.webp)
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
TL;DR: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide (CAS 528576-07-0) is a chemical compound with molecular formula C18H14ClF2N3O2S and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
Also Known As: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide, N-((2-(2-chloro-4,5-difluorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)isobutyramide, N-{[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methylpropanamide
| Molecular Formula | C18H14ClF2N3O2S |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 4.8954 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.04633 |
| Heavy Atoms | 27 |
| Complexity | 1052.5079 |
Chemical Identifiers
| CAS Number | 528576-07-0 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3Cl)F)F |
Product Overview
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide (CAS 528576-07-0), with molecular formula C18H14ClF2N3O2S and molecular weight 409.05 g/mol. IUPAC: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
Property Insights of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
The XLogP value of 4.8954 indicates that N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide 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-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide. Following Lipinski's Rule of Five, N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide?
The CAS number of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide is 528576-07-0.
What is the molecular formula of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide?
The molecular formula of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide is C18H14ClF2N3O2S.
What is the molecular weight of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide?
The molecular weight of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide is 409.05 g/mol.
Where can I buy N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide?
You can request a quote for N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.