1-(2-Chloro-2-phenylethyl)-4-nitrobenzene
TL;DR: 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene (CAS 5441-68-9) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-2-phenylethyl)-4-nitrobenzene
Also Known As: 1-(2-chloro-2-phenylethyl)-4-nitrobenzene, KST-1B5280, 1-(2-chloro-2-phenyl-ethyl)-4-nitro-benzene, 1H-Indole,7-(4-methyl-1-piperazinyl)-3-(phenylsulfonyl)
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5441-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | YUUIMRUHIPDWSH-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-2-phenylethyl)-4-nitrobenzene (CAS 5441-68-9), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: 1-(2-chloro-2-phenylethyl)-4-nitrobenzene.
Chemical Property Profile of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene
Property Insights of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene
The XLogP value of 4.1 indicates that 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene?
The CAS number of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene is 5441-68-9.
What is the molecular formula of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene?
The molecular formula of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene is C14H12ClNO2.
What is the molecular weight of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene?
The molecular weight of 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene is 261.06 g/mol.
Where can I buy 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene?
You can request a quote for 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-2-phenylethyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.