4,5-二氯-N-乙基-2-硝基苯胺
TL;DR: 4,5-二氯-N-乙基-2-硝基苯胺 (CAS 63059-56-3) is a chemical compound with molecular formula C8H8Cl2N2O2 and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氯-N-乙基-2-硝基苯胺
4,5-dichloro-N-ethyl-2-nitroaniline
Also Known As: 4,5-Dichloro-N-ethyl-2-nitroaniline, N-Ethyl-4,5-dichloro-2-nitroaniline, Benzenamine, 4,5-dichloro-N-ethyl-2-nitro-, 4,5-dichloro-N-ethyl-2-nitro-aniline, (4,5-dichloro-2-nitrophenyl)ethylamine
| Molecular Formula | C8H8Cl2N2O2 |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.99628 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 63059-56-3 |
|---|---|
| SMILES | CCNC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| InChIKey | IYHKPJYDDKJPLJ-UHFFFAOYSA-N |
Product Overview
4,5-二氯-N-乙基-2-硝基苯胺 (CAS 63059-56-3), with molecular formula C8H8Cl2N2O2 and molecular weight 234.00 g/mol. IUPAC: 4,5-dichloro-N-ethyl-2-nitroaniline.
Chemical Property Profile of 4,5-二氯-N-乙基-2-硝基苯胺
Property Insights of 4,5-二氯-N-乙基-2-硝基苯胺
The XLogP value of 3.8 indicates that 4,5-二氯-N-乙基-2-硝基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 4,5-二氯-N-乙基-2-硝基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-二氯-N-乙基-2-硝基苯胺 has 1 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 4,5-二氯-N-乙基-2-硝基苯胺?
The CAS number of 4,5-二氯-N-乙基-2-硝基苯胺 is 63059-56-3.
What is the molecular formula of 4,5-二氯-N-乙基-2-硝基苯胺?
The molecular formula of 4,5-二氯-N-乙基-2-硝基苯胺 is C8H8Cl2N2O2.
What is the molecular weight of 4,5-二氯-N-乙基-2-硝基苯胺?
The molecular weight of 4,5-二氯-N-乙基-2-硝基苯胺 is 234.00 g/mol.
Where can I buy 4,5-二氯-N-乙基-2-硝基苯胺?
You can request a quote for 4,5-二氯-N-乙基-2-硝基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氯-N-乙基-2-硝基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氯-N-乙基-2-硝基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.