![N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide structure](/static/products/5903/590396-63-7.webp)
N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide
TL;DR: N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide (CAS 590396-63-7) is a chemical compound with molecular formula C23H18FN3O2S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide
Also Known As: N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide, Benzamide,N-[[[2- -5-benzoxazolyl]amino]thioxomethyl]-3-fluoro-, N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-3-fluorobenzamide, N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide, BENZAMIDE,N-[[[2-(2,3-DIMETHYLPHENYL)-5-BENZOXAZOLYL]AMINO]THIOXOMETHYL]-3-FLUORO
| Molecular Formula | C23H18FN3O2S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 5.37754 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.11038 |
| Heavy Atoms | 30 |
| Complexity | 1282.6798 |
Chemical Identifiers
| CAS Number | 590396-63-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F)C |
Product Overview
N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide (CAS 590396-63-7), with molecular formula C23H18FN3O2S and molecular weight 419.11 g/mol. IUPAC: N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide
Property Insights of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide
The XLogP value of 5.37754 indicates that N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide 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-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide. Following Lipinski's Rule of Five, N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide 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-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide?
The CAS number of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide is 590396-63-7.
What is the molecular formula of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide?
The molecular formula of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide is C23H18FN3O2S.
What is the molecular weight of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide?
The molecular weight of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide is 419.11 g/mol.
Where can I buy N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide?
You can request a quote for N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.