Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate
TL;DR: Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate (CAS 432017-21-5) is a chemical compound with molecular formula C22H14N2O4S and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate
Also Known As: 8-quinolyl 2-(4-nitrophenylthio)benzoate, quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate, quinolin-8-yl 2-((4-nitrophenyl)thio)benzoate, quinolin-8-yl 2-[(4-nitrophenyl)sulfanyl]benzoate
| Molecular Formula | C22H14N2O4S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 5.5134 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0674 |
| Heavy Atoms | 29 |
| Complexity | 1203.5835 |
Chemical Identifiers
| CAS Number | 432017-21-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate (CAS 432017-21-5), with molecular formula C22H14N2O4S and molecular weight 402.07 g/mol. IUPAC: quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate.
Chemical Property Profile of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate
Property Insights of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate
The XLogP value of 5.5134 indicates that Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate. Following Lipinski's Rule of Five, Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate?
The CAS number of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate is 432017-21-5.
What is the molecular formula of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate?
The molecular formula of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate is C22H14N2O4S.
What is the molecular weight of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate?
The molecular weight of Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate is 402.07 g/mol.
Where can I buy Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate?
You can request a quote for Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.