![N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide structure](/static/products/4900/490015-87-7.webp)
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide
TL;DR: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide (CAS 490015-87-7) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide
Also Known As: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide, N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}hexanamide, N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-N'-hexanoylthiourea, 1-[2-(4-ETHOXYPHENYL)-1,2,3-BENZOTRIAZOL-5-YL]-3-HEXANOYLTHIOUREA, N-((2-(4-ethoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)hexanamide
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 4.2125 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 984.4051 |
Chemical Identifiers
| CAS Number | 490015-87-7 |
|---|---|
| SMILES | CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC |
Product Overview
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide (CAS 490015-87-7), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide.
Chemical Property Profile of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide
Property Insights of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide
The XLogP value of 4.2125 indicates that N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide 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-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide. Following Lipinski's Rule of Five, N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide 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-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide?
The CAS number of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide is 490015-87-7.
What is the molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide?
The molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide is C21H25N5O2S.
What is the molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide?
The molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide is 411.17 g/mol.
Where can I buy N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide?
You can request a quote for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide 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-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.