![2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine structure](/static/products/4778/477869-40-2.webp)
2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine
TL;DR: 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine (CAS 477869-40-2) is a chemical compound with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazin-1-yl]pyrimidine
Also Known As: 1P-652S, 2-(4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine, 2-[4-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl)piperazin-1-yl]pyrimidine, 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazin-1-yl]pyrimidine, 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]piperazin-1-yl]pyrimidine
| Molecular Formula | C21H20ClN5O2S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 4.5116 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.10263 |
| Heavy Atoms | 30 |
| Complexity | 1011.6651 |
Chemical Identifiers
| CAS Number | 477869-40-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=NC=CC=N4 |
Product Overview
2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine (CAS 477869-40-2), with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol. IUPAC: 2-[4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]piperazin-1-yl]pyrimidine.
Chemical Property Profile of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine
Property Insights of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine
The XLogP value of 4.5116 indicates that 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine. Following Lipinski's Rule of Five, 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine has 0 hydrogen bond donor(s) and 7 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 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine?
The CAS number of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine is 477869-40-2.
What is the molecular formula of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine?
The molecular formula of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine is C21H20ClN5O2S.
What is the molecular weight of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine?
The molecular weight of 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine is 441.10 g/mol.
Where can I buy 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine?
You can request a quote for 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}piperazino)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.