RefChem:272876
TL;DR: RefChem:272876 (CAS 65749-37-3) is a chemical compound with molecular formula C45H51Cl3N6O5 and molecular weight 860.30 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-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide
Also Known As: 1-bromo-1,1,2-trifluoro-2-iodo-ethane, Benzamide, 3-(((2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-, Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-, 2-(2,4-Di-tert-pentylphenoxy)-3'-((1-(2,4,6-trichlorophenyl)-4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-5-oxo-2-pyrazolin-3-yl)carbamoyl)acetanilide, 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide
| Molecular Formula | C45H51Cl3N6O5 |
|---|---|
| Molecular Weight | 860.30 g/mol |
| LogP | 10.02932 |
| Topological Polar Surface Area | 135.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 860.29865 |
| Heavy Atoms | 59 |
| Complexity | 2284.336 |
Chemical Identifiers
| CAS Number | 65749-37-3 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3=NC4=C(C=C(C=C4)N(CC)CCO)C)C5=C(C=C(C=C5Cl)Cl)Cl)C(C)(C)CC |
Product Overview
RefChem:272876 (CAS 65749-37-3), with molecular formula C45H51Cl3N6O5 and molecular weight 860.30 g/mol. IUPAC: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide.
Chemical Property Profile of RefChem:272876
Property Insights of RefChem:272876
The XLogP value of 10.02932 indicates that RefChem:272876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272876. Following Lipinski's Rule of Five, RefChem:272876 has 3 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 RefChem:272876?
The CAS number of RefChem:272876 is 65749-37-3.
What is the molecular formula of RefChem:272876?
The molecular formula of RefChem:272876 is C45H51Cl3N6O5.
What is the molecular weight of RefChem:272876?
The molecular weight of RefChem:272876 is 860.30 g/mol.
Where can I buy RefChem:272876?
You can request a quote for RefChem:272876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272876?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.