AN-698/41144607
TL;DR: AN-698/41144607 (CAS 384353-31-5) is a chemical compound with molecular formula C22H21BrFN3O5S and molecular weight 537.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: AN-698/41144607, 7-(4-((4-bromophenyl)sulfonyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-(4-Bromo-benzenesulfonyl)-piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-{4-[(4-bromophenyl)sulfonyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
| Molecular Formula | C22H21BrFN3O5S |
|---|---|
| Molecular Weight | 537.04 g/mol |
| LogP | 3.1321 |
| Topological Polar Surface Area | 99.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.0369 |
| Heavy Atoms | 33 |
| Complexity | 1398.2839 |
Chemical Identifiers
| CAS Number | 384353-31-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)F)C(=O)O |
Product Overview
AN-698/41144607 (CAS 384353-31-5), with molecular formula C22H21BrFN3O5S and molecular weight 537.04 g/mol. IUPAC: 7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of AN-698/41144607
Property Insights of AN-698/41144607
The XLogP value of 3.1321 indicates that AN-698/41144607 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41144607. Following Lipinski's Rule of Five, AN-698/41144607 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/41144607?
The CAS number of AN-698/41144607 is 384353-31-5.
What is the molecular formula of AN-698/41144607?
The molecular formula of AN-698/41144607 is C22H21BrFN3O5S.
What is the molecular weight of AN-698/41144607?
The molecular weight of AN-698/41144607 is 537.04 g/mol.
Where can I buy AN-698/41144607?
You can request a quote for AN-698/41144607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41144607?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41144607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.