Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester
TL;DR: Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester (CAS 29007-08-7) is a chemical compound with molecular formula C16H9IN2O4 and molecular weight 419.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 2-iodobenzoate
Also Known As: 8-Quinolinol, 7-nitro-, 2-iodobenzoate, (7-nitroquinolin-8-yl) 2-iodobenzoate, 7-Nitroquinolin-8-yl 2-iodobenzoate, Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester, 5-21-03-00298 (Beilstein Handbook Reference)
| Molecular Formula | C16H9IN2O4 |
|---|---|
| Molecular Weight | 419.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.9607 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 29007-08-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])I |
| InChIKey | GYWVEHGLPULNBL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester (CAS 29007-08-7), with molecular formula C16H9IN2O4 and molecular weight 419.96 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2-iodobenzoate.
Chemical Property Profile of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester
Property Insights of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester
The XLogP value of 4.1 indicates that Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester 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 Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester?
The CAS number of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester is 29007-08-7.
What is the molecular formula of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester?
The molecular formula of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester is C16H9IN2O4.
What is the molecular weight of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester?
The molecular weight of Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester is 419.96 g/mol.
Where can I buy Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester?
You can request a quote for Benzoic acid, 2-iodo-, 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-iodo-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-iodo-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.