N,N-Dibutyl-2-chloro-4-nitroaniline
TL;DR: N,N-Dibutyl-2-chloro-4-nitroaniline (CAS 97043-74-8) is a chemical compound with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-2-chloro-4-nitroaniline
Also Known As: N,N-Dibutyl-2-chloro-4-nitroaniline, EINECS 306-324-1, N,N-Dibutyl-2-chloro-4-nitrobenzenamine, BENZENAMINE, N,N-DIBUTYL-2-CHLORO-4-NITRO-, EINECS 306-324-1, N,N-Dibutyl-2-chloro-4-nitroaniline, CID3024731, 97043-74-8
| Molecular Formula | C14H21ClN2O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 4.6548 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.12915 |
| Heavy Atoms | 19 |
| Complexity | 415.90704 |
Chemical Identifiers
| CAS Number | 97043-74-8 |
|---|---|
| SMILES | CCCCN(CCCC)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
N,N-Dibutyl-2-chloro-4-nitroaniline (CAS 97043-74-8), with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol. IUPAC: N,N-dibutyl-2-chloro-4-nitroaniline.
Chemical Property Profile of N,N-Dibutyl-2-chloro-4-nitroaniline
Property Insights of N,N-Dibutyl-2-chloro-4-nitroaniline
The XLogP value of 4.6548 indicates that N,N-Dibutyl-2-chloro-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, N,N-Dibutyl-2-chloro-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dibutyl-2-chloro-4-nitroaniline has 0 hydrogen bond donor(s) and 3 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,N-Dibutyl-2-chloro-4-nitroaniline?
The CAS number of N,N-Dibutyl-2-chloro-4-nitroaniline is 97043-74-8.
What is the molecular formula of N,N-Dibutyl-2-chloro-4-nitroaniline?
The molecular formula of N,N-Dibutyl-2-chloro-4-nitroaniline is C14H21ClN2O2.
What is the molecular weight of N,N-Dibutyl-2-chloro-4-nitroaniline?
The molecular weight of N,N-Dibutyl-2-chloro-4-nitroaniline is 284.13 g/mol.
Where can I buy N,N-Dibutyl-2-chloro-4-nitroaniline?
You can request a quote for N,N-Dibutyl-2-chloro-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dibutyl-2-chloro-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibutyl-2-chloro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.