EINECS 250-720-6
TL;DR: EINECS 250-720-6 (CAS 31598-52-4) is a chemical compound with molecular formula C36H41Cl3N4O4 and molecular weight 698.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Also Known As: EINECS 250-720-6, 2-IMIDAZOLIDINETHIONE,1-ISOPROPYL-4,4-DIMETHYL, 3-((2-(2,4-Bis(tert-pentyl)phenoxy)butyryl)amino)-N-(4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)benzamide, 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide, 1-(2,4,6-Trichlorophenyl)-3-[3-[2-(2,4-di-tert-pentylphenoxy)butyrylamino]benzoylamino]-5(4H)-pyrazolone
| Molecular Formula | C36H41Cl3N4O4 |
|---|---|
| Molecular Weight | 698.22 g/mol |
| LogP | 9.2983 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 698.21936 |
| Heavy Atoms | 47 |
| Complexity | 1696.9701 |
Chemical Identifiers
| CAS Number | 31598-52-4 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC |
Product Overview
EINECS 250-720-6 (CAS 31598-52-4), with molecular formula C36H41Cl3N4O4 and molecular weight 698.22 g/mol. IUPAC: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.
Chemical Property Profile of EINECS 250-720-6
Property Insights of EINECS 250-720-6
The XLogP value of 9.2983 indicates that EINECS 250-720-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 250-720-6. Following Lipinski's Rule of Five, EINECS 250-720-6 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 250-720-6?
The CAS number of EINECS 250-720-6 is 31598-52-4.
What is the molecular formula of EINECS 250-720-6?
The molecular formula of EINECS 250-720-6 is C36H41Cl3N4O4.
What is the molecular weight of EINECS 250-720-6?
The molecular weight of EINECS 250-720-6 is 698.22 g/mol.
Where can I buy EINECS 250-720-6?
You can request a quote for EINECS 250-720-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 250-720-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 250-720-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.