L-454560
TL;DR: L-454560 (CAS 346629-30-9) is a chemical compound with molecular formula C31H29N3O5S2 and molecular weight 587.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Also Known As: L-454560, J2.553.538C, Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-, 3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole, L 454560
| Molecular Formula | C31H29N3O5S2 |
|---|---|
| Molecular Weight | 587.15 g/mol |
| LogP | 5.86532 |
| Topological Polar Surface Area | 120.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 587.15485 |
| Heavy Atoms | 41 |
| Complexity | 2026.0065 |
Chemical Identifiers
| CAS Number | 346629-30-9 |
|---|---|
| SMILES | CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)C |
Product Overview
L-454560 (CAS 346629-30-9), with molecular formula C31H29N3O5S2 and molecular weight 587.15 g/mol. IUPAC: 3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole.
Chemical Property Profile of L-454560
Property Insights of L-454560
The XLogP value of 5.86532 indicates that L-454560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.09 Ų falls within the moderate polarity range, balancing permeability and solubility for L-454560. Following Lipinski's Rule of Five, L-454560 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-454560?
The CAS number of L-454560 is 346629-30-9.
What is the molecular formula of L-454560?
The molecular formula of L-454560 is C31H29N3O5S2.
What is the molecular weight of L-454560?
The molecular weight of L-454560 is 587.15 g/mol.
Where can I buy L-454560?
You can request a quote for L-454560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-454560?
Yes, KEHONG BIO provides custom synthesis services for L-454560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.