1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene
TL;DR: 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene (CAS 296770-45-1) is a chemical compound with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylquinoline
Also Known As: BIM-0025711.P001, 1-nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene, 8-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylquinoline, 8-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}quinoline, 8-((2-nitro-5-(pyrrolidin-1-yl)phenyl)thio)quinoline
| Molecular Formula | C19H17N3O2S |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 4.8944 |
| Topological Polar Surface Area | 59.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.10416 |
| Heavy Atoms | 25 |
| Complexity | 933.60547 |
Chemical Identifiers
| CAS Number | 296770-45-1 |
|---|---|
| SMILES | C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4 |
Product Overview
1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene (CAS 296770-45-1), with molecular formula C19H17N3O2S and molecular weight 351.10 g/mol. IUPAC: 8-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylquinoline.
Chemical Property Profile of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene
Property Insights of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene
The XLogP value of 4.8944 indicates that 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.27 Ų, 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene has 0 hydrogen bond donor(s) and 5 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-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene?
The CAS number of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene is 296770-45-1.
What is the molecular formula of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene?
The molecular formula of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene is C19H17N3O2S.
What is the molecular weight of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene?
The molecular weight of 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene is 351.10 g/mol.
Where can I buy 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene?
You can request a quote for 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-pyrrolidinyl-2-(8-quinolylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.