![N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide structure](/static/products/586/586998-84-7.png)
N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide
TL;DR: N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide (CAS 586998-84-7) is a chemical compound with molecular formula C23H20ClN5O3 and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-chloro-4-nitrobenzamide
Also Known As: N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-chloro-4-nitro-benzamide, N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-chloro-4-nitrobenzamide, N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide, N-(2-(4-butylphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)-2-chloro-4-nitrobenzamide
| Molecular Formula | C23H20ClN5O3 |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 5.577 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.12546 |
| Heavy Atoms | 32 |
| Complexity | 1300.9883 |
Chemical Identifiers
| CAS Number | 586998-84-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide (CAS 586998-84-7), with molecular formula C23H20ClN5O3 and molecular weight 449.13 g/mol. IUPAC: N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-chloro-4-nitrobenzamide.
Chemical Property Profile of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide
Property Insights of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide
The XLogP value of 5.577 indicates that N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide 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-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide?
The CAS number of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide is 586998-84-7.
What is the molecular formula of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide?
The molecular formula of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide is C23H20ClN5O3.
What is the molecular weight of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide?
The molecular weight of N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide is 449.13 g/mol.
Where can I buy N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide?
You can request a quote for N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-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-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-butylphenyl)-2H-benzotriazol-5-yl]-2-chloro-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.