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N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide
TL;DR: N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide (CAS 590394-64-2) is a chemical compound with molecular formula C21H14FN3O2S and molecular weight 391.08 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)phenyl]carbamothioyl]-3-fluorobenzamide
Also Known As: N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide, N-((3-(Benzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-fluorobenzamide, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluorobenzamide, N-[(3-benzooxazol-2-ylphenyl)thiocarbamoyl]-3-fluoro-benzamide, BENZAMIDE, N-[[[3-(2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-3-FLUORO-
| Molecular Formula | C21H14FN3O2S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.7607 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.07907 |
| Heavy Atoms | 28 |
| Complexity | 1155.973 |
Chemical Identifiers
| CAS Number | 590394-64-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F |
Product Overview
N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide (CAS 590394-64-2), with molecular formula C21H14FN3O2S and molecular weight 391.08 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide
Property Insights of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide
The XLogP value of 4.7607 indicates that N-{[3-(1,3-benzoxazol-2-yl)phenyl]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-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide 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-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide?
The CAS number of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide is 590394-64-2.
What is the molecular formula of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide?
The molecular formula of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide is C21H14FN3O2S.
What is the molecular weight of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide?
The molecular weight of N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide is 391.08 g/mol.
Where can I buy N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide?
You can request a quote for N-{[3-(1,3-benzoxazol-2-yl)phenyl]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-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.