![N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide structure](/static/products/4296/429641-79-2.webp)
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 429641-79-2) is a chemical compound with molecular formula C23H20N6O4S and molecular weight 476.13 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]-2-methyl-3-nitrobenzamide
Also Known As: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide, N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide
| Molecular Formula | C23H20N6O4S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 4.16262 |
| Topological Polar Surface Area | 124.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.12668 |
| Heavy Atoms | 34 |
| Complexity | 1400.6151 |
Chemical Identifiers
| CAS Number | 429641-79-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C |
Product Overview
N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide (CAS 429641-79-2), with molecular formula C23H20N6O4S and molecular weight 476.13 g/mol. IUPAC: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
The XLogP value of 4.16262 indicates that N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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]-2-methyl-3-nitrobenzamide?
The CAS number of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is 429641-79-2.
What is the molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is C23H20N6O4S.
What is the molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide is 476.13 g/mol.
Where can I buy N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide 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]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.