![N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide structure](/static/products/4256/425666-50-8.webp)
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide (CAS 425666-50-8) is a chemical compound with molecular formula C21H13ClFN3OS2 and molecular weight 441.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: AM-879/40777382, N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide, N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-N'-(4-fluorobenzoyl)thiourea
| Molecular Formula | C21H13ClFN3OS2 |
|---|---|
| Molecular Weight | 441.02 g/mol |
| LogP | 5.8826 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01727 |
| Heavy Atoms | 29 |
| Complexity | 1191.3186 |
Chemical Identifiers
| CAS Number | 425666-50-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl |
Product Overview
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide (CAS 425666-50-8), with molecular formula C21H13ClFN3OS2 and molecular weight 441.02 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 5.8826 indicates that N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-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-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide is 425666-50-8.
What is the molecular formula of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide is C21H13ClFN3OS2.
What is the molecular weight of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide is 441.02 g/mol.
Where can I buy N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]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-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.