![N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide structure](/static/products/4284/428489-48-9.webp)
N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide
TL;DR: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide (CAS 428489-48-9) is a chemical compound with molecular formula C21H15ClFN5OS and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide
Also Known As: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide, N-{[2-(3-chloro-4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-fluorobenzamide, N-[2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-N'-(3-fluorobenzoyl)thiourea
| Molecular Formula | C21H15ClFN5OS |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.64822 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.067 |
| Heavy Atoms | 30 |
| Complexity | 1289.6283 |
Chemical Identifiers
| CAS Number | 428489-48-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F)Cl |
Product Overview
N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide (CAS 428489-48-9), with molecular formula C21H15ClFN5OS and molecular weight 439.07 g/mol. IUPAC: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide
Property Insights of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide
The XLogP value of 4.64822 indicates that N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide. Following Lipinski's Rule of Five, N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]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-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide?
The CAS number of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide is 428489-48-9.
What is the molecular formula of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide?
The molecular formula of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide is C21H15ClFN5OS.
What is the molecular weight of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide?
The molecular weight of N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide is 439.07 g/mol.
Where can I buy N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide?
You can request a quote for N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]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-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.