![N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide structure](/static/products/4256/425667-87-4.webp)
N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide
TL;DR: N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide (CAS 425667-87-4) is a chemical compound with molecular formula C21H14FN3O3S and molecular weight 407.07 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)-4-hydroxyphenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: AM-879/40777433, N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide, N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-fluorobenzamide, N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-(4-fluorobenzoyl)thiourea, N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-4-fluorobenzamide
| Molecular Formula | C21H14FN3O3S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 4.4663 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.074 |
| Heavy Atoms | 29 |
| Complexity | 1188.5637 |
Chemical Identifiers
| CAS Number | 425667-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)O |
Product Overview
N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide (CAS 425667-87-4), with molecular formula C21H14FN3O3S and molecular weight 407.07 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide
Property Insights of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide
The XLogP value of 4.4663 indicates that N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide has 3 hydrogen bond donor(s) and 5 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)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide?
The CAS number of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide is 425667-87-4.
What is the molecular formula of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide?
The molecular formula of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide is C21H14FN3O3S.
What is the molecular weight of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide?
The molecular weight of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide is 407.07 g/mol.
Where can I buy N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide?
You can request a quote for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-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)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.