E 4441
TL;DR: E 4441 (CAS 124668-12-8) is a chemical compound with molecular formula C17H17F2N3O3 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 4441
7-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 3-Quinolinecarboxylic acid, 7-(3-amino-3-methyl-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-, 7-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid, 7-(3-Amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-3-amino-1-azetidinyl)-4-oxo-3-quinolinecarboxylic acid
| Molecular Formula | C17H17F2N3O3 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1238 |
| Heavy Atoms | 25 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 124668-12-8 |
|---|---|
| SMILES | CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)N |
| InChIKey | FEMZVDSBIXDODB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E 4441 (CAS 124668-12-8), with molecular formula C17H17F2N3O3 and molecular weight 349.12 g/mol. IUPAC: 7-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of E 4441
Property Insights of E 4441
The XLogP value of -1.2 indicates that E 4441 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for E 4441. Following Lipinski's Rule of Five, E 4441 has 2 hydrogen bond donor(s) and 8 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 E 4441?
The CAS number of E 4441 is 124668-12-8.
What is the molecular formula of E 4441?
The molecular formula of E 4441 is C17H17F2N3O3.
What is the molecular weight of E 4441?
The molecular weight of E 4441 is 349.12 g/mol.
Where can I buy E 4441?
You can request a quote for E 4441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 4441?
Yes, KEHONG BIO provides custom synthesis services for E 4441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.