Alilusem
TL;DR: Alilusem (CAS 114417-20-8) is a chemical compound with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
Also Known As: Alilusem, Alilusem [INN], ALILUSEM [WHO-DD], M-17055 Free, 7-Chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4(1H)-one (E)-O-sulfooxime
| Molecular Formula | C17H15ClN2O5S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 3.22242 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.03903 |
| Heavy Atoms | 26 |
| Complexity | 1003.9629 |
Chemical Identifiers
| CAS Number | 114417-20-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2CC/C(=N\OS(=O)(=O)O)/C3=C2C=C(C=C3)Cl |
Product Overview
Alilusem (CAS 114417-20-8), with molecular formula C17H15ClN2O5S and molecular weight 394.04 g/mol. IUPAC: [(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate.
Chemical Property Profile of Alilusem
Property Insights of Alilusem
The XLogP value of 3.22242 indicates that Alilusem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Alilusem. Following Lipinski's Rule of Five, Alilusem has 1 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 Alilusem?
The CAS number of Alilusem is 114417-20-8.
What is the molecular formula of Alilusem?
The molecular formula of Alilusem is C17H15ClN2O5S.
What is the molecular weight of Alilusem?
The molecular weight of Alilusem is 394.04 g/mol.
Where can I buy Alilusem?
You can request a quote for Alilusem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alilusem?
Yes, KEHONG BIO provides custom synthesis services for Alilusem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.