![N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide structure](/static/products/3058/305861-19-2.webp)
N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide
TL;DR: N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide (CAS 305861-19-2) is a chemical compound with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylbenzamide
Also Known As: N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide, N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methyl-benzamide, N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylbenzamide, N-((1H-Benzo[d][1,2,3]triazol-1-yl)(4-nitrophenyl)methyl)-4-methylbenzamide
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.62482 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1183.1584 |
Chemical Identifiers
| CAS Number | 305861-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3 |
Product Overview
N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide (CAS 305861-19-2), with molecular formula C21H17N5O3 and molecular weight 387.13 g/mol. IUPAC: N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylbenzamide.
Chemical Property Profile of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide
Property Insights of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide
The XLogP value of 3.62482 indicates that N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide has 1 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-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide?
The CAS number of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide is 305861-19-2.
What is the molecular formula of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide?
The molecular formula of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide is C21H17N5O3.
What is the molecular weight of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide?
The molecular weight of N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide is 387.13 g/mol.
Where can I buy N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide?
You can request a quote for N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1H-1,2,3-Benzotriazol-1-yl(4-nitrophenyl)methyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.