RefChem:570686
TL;DR: RefChem:570686 (CAS 33956-01-3) is a chemical compound with molecular formula C36H52ClN3O3 and molecular weight 609.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide
Also Known As: Butanamide, N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)-, N-(1-(6-Chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide, Butanamide, N-(1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)-2-(3-pentadecylphenoxy)-, n-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1h-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide, N-[1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl]-2-(3-pentadecylphenoxy)butyramide
| Molecular Formula | C36H52ClN3O3 |
|---|---|
| Molecular Weight | 609.37 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 609.3697 |
| Heavy Atoms | 43 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 33956-01-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C |
| InChIKey | YVJFRAPRCAGGMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:570686 (CAS 33956-01-3), with molecular formula C36H52ClN3O3 and molecular weight 609.37 g/mol. IUPAC: N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide.
Chemical Property Profile of RefChem:570686
Property Insights of RefChem:570686
The XLogP value of 12.4 indicates that RefChem:570686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:570686. Following Lipinski's Rule of Five, RefChem:570686 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:570686?
The CAS number of RefChem:570686 is 33956-01-3.
What is the molecular formula of RefChem:570686?
The molecular formula of RefChem:570686 is C36H52ClN3O3.
What is the molecular weight of RefChem:570686?
The molecular weight of RefChem:570686 is 609.37 g/mol.
Where can I buy RefChem:570686?
You can request a quote for RefChem:570686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:570686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:570686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.