3-Chloro-2-(4-ethylpiperazin-1-yl)aniline
TL;DR: 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline (CAS 714282-41-4) is a chemical compound with molecular formula C12H18ClN3 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(4-ethylpiperazin-1-yl)aniline
Also Known As: 3-chloro-2-(4-ethylpiperazin-1-yl)aniline, ASISCHEM Z45295, 3-CHLORO-2- -PHENYLAMINE, [3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]amine, 3-chloro-2-(4-ethyl-1-piperazinyl)aniline
| Molecular Formula | C12H18ClN3 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 2.0641 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.11893 |
| Heavy Atoms | 16 |
| Complexity | 339.03156 |
Chemical Identifiers
| CAS Number | 714282-41-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C=CC=C2Cl)N |
Product Overview
3-Chloro-2-(4-ethylpiperazin-1-yl)aniline (CAS 714282-41-4), with molecular formula C12H18ClN3 and molecular weight 239.12 g/mol. IUPAC: 3-chloro-2-(4-ethylpiperazin-1-yl)aniline.
Chemical Property Profile of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline
Property Insights of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline
The XLogP value of 2.0641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline. With a topological polar surface area (TPSA) of 32.5 Ų, 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline 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 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline?
The CAS number of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline is 714282-41-4.
What is the molecular formula of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline?
The molecular formula of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline is C12H18ClN3.
What is the molecular weight of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline?
The molecular weight of 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline is 239.12 g/mol.
Where can I buy 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline?
You can request a quote for 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(4-ethylpiperazin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.