EINECS 248-935-5
TL;DR: EINECS 248-935-5 (CAS 55664-78-3) is a chemical compound with molecular formula C41H43Cl3N6O5 and molecular weight 804.24 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]acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Also Known As: 664T783, 1-(2,4,6-Trichlorophenyl)-3-[3-(2,4-di-tert-pentylphenoxy)acetamidobenzamido]-4-(4-methoxyphenyl)azo-2-pyrazolin-5-one, 3-(2-(2,4-Ditert-pentylphenoxy)acetamido)-N-(4-(4-methoxyphenylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide, Benzamide, 3-(((2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(4,5-dihydro-4-((4-methoxyphenyl)azo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-, I14-0623
| Molecular Formula | C41H43Cl3N6O5 |
|---|---|
| Molecular Weight | 804.24 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 804.236 |
| Heavy Atoms | 55 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 55664-78-3 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3N=NC4=CC=C(C=C4)OC)C5=C(C=C(C=C5Cl)Cl)Cl)C(C)(C)CC |
| InChIKey | GKFRFXGNFWGAEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 248-935-5 (CAS 55664-78-3), with molecular formula C41H43Cl3N6O5 and molecular weight 804.24 g/mol. IUPAC: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.
Chemical Property Profile of EINECS 248-935-5
Property Insights of EINECS 248-935-5
The XLogP value of 11.4 indicates that EINECS 248-935-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 248-935-5. Following Lipinski's Rule of Five, EINECS 248-935-5 has 2 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 EINECS 248-935-5?
The CAS number of EINECS 248-935-5 is 55664-78-3.
What is the molecular formula of EINECS 248-935-5?
The molecular formula of EINECS 248-935-5 is C41H43Cl3N6O5.
What is the molecular weight of EINECS 248-935-5?
The molecular weight of EINECS 248-935-5 is 804.24 g/mol.
Where can I buy EINECS 248-935-5?
You can request a quote for EINECS 248-935-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 248-935-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 248-935-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.