Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester
TL;DR: Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester (CAS 29002-49-1) is a chemical compound with molecular formula C23H16N2O5 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate
Also Known As: 8-Quinolinol, 7-nitro-, 4-(phenylmethoxy)benzoate, Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester, 7-nitroquinolin-8-yl 4-(benzyloxy)benzoate, (7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate, BRN 1555798
| Molecular Formula | C23H16N2O5 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10593 |
| Heavy Atoms | 30 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 29002-49-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-] |
| InChIKey | UUXWXUGUWYZKDZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester (CAS 29002-49-1), with molecular formula C23H16N2O5 and molecular weight 400.11 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester
Property Insights of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester
The XLogP value of 4.9 indicates that Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester has 0 hydrogen bond donor(s) and 6 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, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester?
The CAS number of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester is 29002-49-1.
What is the molecular formula of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester?
The molecular formula of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester is C23H16N2O5.
What is the molecular weight of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester?
The molecular weight of Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester is 400.11 g/mol.
Where can I buy Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester?
You can request a quote for Benzoic acid, 4-(phenylmethoxy)-, 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, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(phenylmethoxy)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.