![1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine structure](/static/products/4778/477869-41-3.webp)
1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine
TL;DR: 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine (CAS 477869-41-3) is a chemical compound with molecular formula C17H17ClN2O2S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]pyrrolidine
Also Known As: 1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine, 1-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl)pyrrolidine, 1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]pyrrolidine, 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl]pyrrolidine, 1-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]pyrrolidine
| Molecular Formula | C17H17ClN2O2S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.9952 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.06992 |
| Heavy Atoms | 23 |
| Complexity | 700.2396 |
Chemical Identifiers
| CAS Number | 477869-41-3 |
|---|---|
| SMILES | C1CCN(C1)CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine (CAS 477869-41-3), with molecular formula C17H17ClN2O2S and molecular weight 348.07 g/mol. IUPAC: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl]pyrrolidine.
Chemical Property Profile of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine
Property Insights of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine
The XLogP value of 4.9952 indicates that 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.38 Ų, 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine has 0 hydrogen bond donor(s) and 4 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-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine?
The CAS number of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine is 477869-41-3.
What is the molecular formula of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine?
The molecular formula of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine is C17H17ClN2O2S.
What is the molecular weight of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine?
The molecular weight of 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine is 348.07 g/mol.
Where can I buy 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine?
You can request a quote for 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl}pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.