Einecs 243-730-7
TL;DR: Einecs 243-730-7 (CAS 20318-58-5) is a chemical compound with molecular formula C33H44N4O5 and molecular weight 576.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-acetyl-4-dodecylanilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid
Also Known As: N2-Acetyl-N2-(4-dodecylphenyl)-N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-L-asparagine, N~2~-Acetyl-N~2~-(4-dodecylphenyl)-N-(5-oxo-1-phenylpyrazolidin-3-ylidene)asparagine, 2-(N-acetyl-4-dodecylanilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid, EINECS 243-730-7
| Molecular Formula | C33H44N4O5 |
|---|---|
| Molecular Weight | 576.33 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 576.3312 |
| Heavy Atoms | 42 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 20318-58-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)N(C(CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C(=O)O)C(=O)C |
| InChIKey | DLNZZJTWMYDVBS-UHFFFAOYSA-N |
Product Overview
Einecs 243-730-7 (CAS 20318-58-5), with molecular formula C33H44N4O5 and molecular weight 576.33 g/mol. IUPAC: 2-(N-acetyl-4-dodecylanilino)-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid.
Chemical Property Profile of Einecs 243-730-7
Property Insights of Einecs 243-730-7
The XLogP value of 7.4 indicates that Einecs 243-730-7 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 243-730-7. Following Lipinski's Rule of Five, Einecs 243-730-7 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 243-730-7?
The CAS number of Einecs 243-730-7 is 20318-58-5.
What is the molecular formula of Einecs 243-730-7?
The molecular formula of Einecs 243-730-7 is C33H44N4O5.
What is the molecular weight of Einecs 243-730-7?
The molecular weight of Einecs 243-730-7 is 576.33 g/mol.
Where can I buy Einecs 243-730-7?
You can request a quote for Einecs 243-730-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 243-730-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 243-730-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.