Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester
TL;DR: Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester (CAS 29002-12-8) 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.
(7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate
Also Known As: 8-Quinolinol, 7-nitro-, 2-(phenylthio)benzoate, Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester, (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate, 7-Nitroquinolin-8-yl 2-(phenylsulfanyl)benzoate, BRN 1555402
| Molecular Formula | C22H14N2O4S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0674 |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 29002-12-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-] |
| InChIKey | ZHYZMLUFPWUDRK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester (CAS 29002-12-8), with molecular formula C22H14N2O4S and molecular weight 402.07 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate.
Chemical Property Profile of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester
Property Insights of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester
The XLogP value of 5.5 indicates that Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester 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 Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester?
The CAS number of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester is 29002-12-8.
What is the molecular formula of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester?
The molecular formula of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester is C22H14N2O4S.
What is the molecular weight of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester?
The molecular weight of Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester is 402.07 g/mol.
Where can I buy Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester?
You can request a quote for Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(phenylthio)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.