Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester
TL;DR: Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester (CAS 29002-15-1) is a chemical compound with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) (2E)-2-benzylidenebutanoate
Also Known As: 2-(Phenylmethylene)butanoic acid 7-nitro-8-quinolinyl ester, BUTANOIC ACID, 2-(PHENYLMETHYLENE)-, 7-NITRO-8-QUINOLINYL ESTER, (7-nitroquinolin-8-yl) (2E)-2-benzylidenebutanoate, RefChem:1080317, BRN 1552130
| Molecular Formula | C20H16N2O4 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 4.542 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.111 |
| Heavy Atoms | 26 |
| Complexity | 997.12366 |
Chemical Identifiers
| CAS Number | 29002-15-1 |
|---|---|
| SMILES | CC/C(=C\C1=CC=CC=C1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
Product Overview
Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester (CAS 29002-15-1), with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol. IUPAC: (7-nitroquinolin-8-yl) (2E)-2-benzylidenebutanoate.
Chemical Property Profile of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester
Property Insights of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester
The XLogP value of 4.542 indicates that Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester 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 Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2-(phenylmethylene)-, 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 Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester?
The CAS number of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester is 29002-15-1.
What is the molecular formula of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester?
The molecular formula of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester is C20H16N2O4.
What is the molecular weight of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester?
The molecular weight of Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester is 348.11 g/mol.
Where can I buy Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester?
You can request a quote for Butanoic acid, 2-(phenylmethylene)-, 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 Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(phenylmethylene)-, 7-nitro-8-quinolinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.