![N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide structure](/static/products/3811/381184-63-0.webp)
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 381184-63-0) is a chemical compound with molecular formula C22H17ClFN5O2S and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide, N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-fluorobenzamide, N-((2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-fluorobenzamide, N-({[2-(3-chloro-4-methoxyphenyl)-6-methyl(2-hydrobenzotriazol-5-yl)]amino}thi oxomethyl)(4-fluorophenyl)carboxamide, N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide
| Molecular Formula | C22H17ClFN5O2S |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 4.65682 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.07755 |
| Heavy Atoms | 32 |
| Complexity | 1340.4114 |
Chemical Identifiers
| CAS Number | 381184-63-0 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)Cl |
Product Overview
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 381184-63-0), with molecular formula C22H17ClFN5O2S and molecular weight 469.08 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 4.65682 indicates that N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide has 2 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-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is 381184-63-0.
What is the molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is C22H17ClFN5O2S.
What is the molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide is 469.08 g/mol.
Where can I buy N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]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-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.