![N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline structure](/static/products/1298/129882-02-6.webp)
N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
TL;DR: N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline (CAS 129882-02-6) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(benzotriazol-1-yl)butyl]-3-nitroaniline
Also Known As: N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline, N-[1-(benzotriazol-1-yl)butyl]-3-nitroaniline, N-(1-benzotriazol-1-ylbutyl)-3-nitro-aniline, N-[1-(benzotriazol-1-yl)butyl]-3-nitro-aniline
| Molecular Formula | C16H17N5O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 3.7503 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1382 |
| Heavy Atoms | 23 |
| Complexity | 829.9585 |
Chemical Identifiers
| CAS Number | 129882-02-6 |
|---|---|
| SMILES | CCCC(NC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2 |
Product Overview
N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline (CAS 129882-02-6), with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol. IUPAC: N-[1-(benzotriazol-1-yl)butyl]-3-nitroaniline.
Chemical Property Profile of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
Property Insights of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline
The XLogP value of 3.7503 indicates that N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline. Following Lipinski's Rule of Five, N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline 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-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline?
The CAS number of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline is 129882-02-6.
What is the molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline?
The molecular formula of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline is C16H17N5O2.
What is the molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline?
The molecular weight of N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline is 311.14 g/mol.
Where can I buy N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline?
You can request a quote for N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1H-1,2,3-Benzotriazol-1-yl)butyl]-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.