E 4497
TL;DR: E 4497 (CAS 124668-23-1) is a chemical compound with molecular formula C17H18FN3O4 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 4497
(2S)-6-(3-amino-3-methylazetidin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: E-4497, E 4497, J1.342.086F, (2S)-6-(3-Amino-3-methylazetidin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid, 9-Fluoro-3-methyl-10-(3-amino-3-methylazetidin-1-yl)-7-oxo-2,3-dihydro-7H-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid
| Molecular Formula | C17H18FN3O4 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.12814 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 124668-23-1 |
|---|---|
| SMILES | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC(C4)(C)N)F)C(=O)O |
| InChIKey | DJLDMUYZDOLNGQ-QMMMGPOBSA-N |
Product Overview
E 4497 (CAS 124668-23-1), with molecular formula C17H18FN3O4 and molecular weight 347.13 g/mol. IUPAC: (2S)-6-(3-amino-3-methylazetidin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of E 4497
Property Insights of E 4497
The XLogP value of -1.1 indicates that E 4497 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for E 4497. Following Lipinski's Rule of Five, E 4497 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 4497?
The CAS number of E 4497 is 124668-23-1.
What is the molecular formula of E 4497?
The molecular formula of E 4497 is C17H18FN3O4.
What is the molecular weight of E 4497?
The molecular weight of E 4497 is 347.13 g/mol.
Where can I buy E 4497?
You can request a quote for E 4497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 4497?
Yes, KEHONG BIO provides custom synthesis services for E 4497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.