1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (CAS 370575-95-4) is a chemical compound with molecular formula C27H29FN4O5S and molecular weight 540.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-4-oxo-7-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
Also Known As: 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-4-oxo-7-(4-{[(4-propoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-ETHYL-6-FLUORO-4-OXO-7-(4-{[(4-PROPOXYPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
| Molecular Formula | C27H29FN4O5S |
|---|---|
| Molecular Weight | 540.18 g/mol |
| LogP | 3.4844 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.18427 |
| Heavy Atoms | 38 |
| Complexity | 1432.139 |
Chemical Identifiers
| CAS Number | 370575-95-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F |
Product Overview
1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (CAS 370575-95-4), with molecular formula C27H29FN4O5S and molecular weight 540.18 g/mol. IUPAC: 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid.
Chemical Property Profile of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 3.4844 indicates that 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid has 2 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 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is 370575-95-4.
What is the molecular formula of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is C27H29FN4O5S.
What is the molecular weight of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is 540.18 g/mol.
Where can I buy 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-fluoro-4-oxo-7-(4-((4-propoxybenzoyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.