8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)
TL;DR: 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) (CAS 29007-14-5) is a chemical compound with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 4-nitrobenzoate
Also Known As: 7-Nitro-8-quinolinol p-nitrobenzoate (ester), 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester), Benzoic acid, p-nitro-, 7-nitro-8-quinolyl ester, 4-Nitrobenzoicacid7-nitro-8-quinolylester, (7-nitroquinolin-8-yl) 4-nitrobenzoate
| Molecular Formula | C16H9N3O6 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.04913 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 29007-14-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1 |
| InChIKey | OKIYTJMQXQZXDM-UHFFFAOYSA-N |
Product Overview
8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) (CAS 29007-14-5), with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-nitrobenzoate.
Chemical Property Profile of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)
Property Insights of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)
The XLogP value of 3.3 indicates that 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester). Following Lipinski's Rule of Five, 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) has 0 hydrogen bond donor(s) and 7 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 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)?
The CAS number of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) is 29007-14-5.
What is the molecular formula of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)?
The molecular formula of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) is C16H9N3O6.
What is the molecular weight of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)?
The molecular weight of 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) is 339.05 g/mol.
Where can I buy 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)?
You can request a quote for 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolinol, 7-nitro-, p-nitrobenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.