EINECS 244-405-2
TL;DR: EINECS 244-405-2 (CAS 21478-11-5) is a chemical compound with molecular formula C35H56N4O5 and molecular weight 612.42505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid
Also Known As: 2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid, n2-(2-methylpropanoyl)-n2-octadecyl-n-(5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-3-yl)asparagine, N-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine, N~2~-(2-Methylpropanoyl)-N~2~-octadecyl-N-(5-oxo-1-phenylpyrazolidin-3-ylidene)asparagine, EINECS 244-405-2
Technical Specifications
| Molecular Formula | C35H56N4O5 |
| Molecular Weight | 612.42505 g/mol |
| XLogP | 9.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 612.42505 Da |
| Heavy Atoms | 44 |
| Complexity | 900.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN(C(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O)C(=O)C(C)C |
| InChIKey | JLUISDDIQNPTPU-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 244-405-2
Property Insights of EINECS 244-405-2
The XLogP value of 9.5 indicates that EINECS 244-405-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 244-405-2. Following Lipinski's Rule of Five, EINECS 244-405-2 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 244-405-2?
The CAS number of EINECS 244-405-2 is 21478-11-5.
What is the molecular formula of EINECS 244-405-2?
The molecular formula of EINECS 244-405-2 is C35H56N4O5.
What is the molecular weight of EINECS 244-405-2?
The molecular weight of EINECS 244-405-2 is 612.42505 g/mol.
Where can I buy EINECS 244-405-2?
You can request a quote for EINECS 244-405-2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 244-405-2?
Yes, CoreyChem provides custom synthesis services for EINECS 244-405-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.