![N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide structure](/static/products/6405/6405-79-4.webp)
N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
TL;DR: N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide (CAS 6405-79-4) 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-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
Also Known As: N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide, N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide, Ethanethioic acid,S-[[4-[(trichloromethoxy)sulfonyl]phenyl]azanyl] ester, N-({[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)-2-fluorobenzamide
| 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 | 1226.4298 |
Chemical Identifiers
| CAS Number | 6405-79-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F |
Product Overview
N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide (CAS 6405-79-4), with molecular formula C23H18FN3O2S and molecular weight 419.11 g/mol. IUPAC: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
Property Insights of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide
The XLogP value of 5.37754 indicates that N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-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-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide. Following Lipinski's Rule of Five, N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-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-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide?
The CAS number of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide is 6405-79-4.
What is the molecular formula of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide?
The molecular formula of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide is C23H18FN3O2S.
What is the molecular weight of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide?
The molecular weight of N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide is 419.11 g/mol.
Where can I buy N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide?
You can request a quote for N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.