![N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide structure](/static/products/6897/689751-62-0.webp)
N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide
TL;DR: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide (CAS 689751-62-0) is a chemical compound with molecular formula C19H20ClN5OS and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide
Also Known As: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide, N-({[2-(4-butylphenyl)-6-chloro(2-hydrobenzotriazol-5-yl)]amino}thioxomethyl)a cetamide, N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}acetamide
| Molecular Formula | C19H20ClN5OS |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 4.2494 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1077 |
| Heavy Atoms | 27 |
| Complexity | 983.6787 |
Chemical Identifiers
| CAS Number | 689751-62-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C |
Product Overview
N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide (CAS 689751-62-0), with molecular formula C19H20ClN5OS and molecular weight 401.11 g/mol. IUPAC: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide.
Chemical Property Profile of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide
Property Insights of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide
The XLogP value of 4.2494 indicates that N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide 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-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide 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-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide?
The CAS number of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide is 689751-62-0.
What is the molecular formula of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide?
The molecular formula of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide is C19H20ClN5OS.
What is the molecular weight of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide?
The molecular weight of N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide is 401.11 g/mol.
Where can I buy N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide?
You can request a quote for N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.