![N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide structure](/static/products/4256/425680-33-7.webp)
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide (CAS 425680-33-7) 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]-2-fluorobenzamide
Also Known As: AB00107373-01, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide, N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-fluorobenzamide, 1-[3-(1,3-BENZOXAZOL-2-YL)PHENYL]-3-(2-FLUOROBENZOYL)THIOUREA
| 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 | 425680-33-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)F |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide (CAS 425680-33-7), with molecular formula C21H14FN3O2S and molecular weight 391.08 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
The XLogP value of 4.7607 indicates that N-[[3-(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-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-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]-2-fluorobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide is 425680-33-7.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide is C21H14FN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide is 391.08 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[[3-(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-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.