![4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide structure](/static/products/535/535958-33-9.png)
4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide
TL;DR: 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide (CAS 535958-33-9) is a chemical compound with molecular formula C18H17Cl2N5OS and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide
Also Known As: 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide, 4-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide, 4-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]thiocarbamoyl]butanamide, 4-chloro-N-((6-chloro-2-(p-tolyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)butanamide
| Molecular Formula | C18H17Cl2N5OS |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.21432 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.0531 |
| Heavy Atoms | 27 |
| Complexity | 987.3307 |
Chemical Identifiers
| CAS Number | 535958-33-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CCCCl |
Product Overview
4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide (CAS 535958-33-9), with molecular formula C18H17Cl2N5OS and molecular weight 421.05 g/mol. IUPAC: 4-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide.
Chemical Property Profile of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide
Property Insights of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide
The XLogP value of 4.21432 indicates that 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide 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 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide. Following Lipinski's Rule of Five, 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide 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 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide?
The CAS number of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide is 535958-33-9.
What is the molecular formula of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide?
The molecular formula of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide is C18H17Cl2N5OS.
What is the molecular weight of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide?
The molecular weight of 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide is 421.05 g/mol.
Where can I buy 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide?
You can request a quote for 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.