RefChem:563568
TL;DR: RefChem:563568 (CAS 27982-34-9) is a chemical compound with molecular formula C36H46N2O5 and molecular weight 586.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[3-(2-methoxyanilino)-3-oxopropanoyl]phenyl]butanamide
Also Known As: Benzenepropanamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-, 3-[m-[[2- butyryl]amino]phenyl]-n-3-oxopropionamide, 3-[m-[[2- butyryl]amino]phenyl]-N- -3-oxopropionamide, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-(3-{3-[(2-methoxyphenyl)amino]-3-oxopropanoyl}phenyl)butanamide, Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-N-(2-methoxyphenyl)-beta-oxo-
| Molecular Formula | C36H46N2O5 |
|---|---|
| Molecular Weight | 586.34 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 586.3407 |
| Heavy Atoms | 43 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 27982-34-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C(=O)CC(=O)NC2=CC=CC=C2OC)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC |
| InChIKey | MYERYINJLCIOKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:563568 (CAS 27982-34-9), with molecular formula C36H46N2O5 and molecular weight 586.34 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[3-(2-methoxyanilino)-3-oxopropanoyl]phenyl]butanamide.
Chemical Property Profile of RefChem:563568
Property Insights of RefChem:563568
The XLogP value of 9.4 indicates that RefChem:563568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563568. Following Lipinski's Rule of Five, RefChem:563568 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 RefChem:563568?
The CAS number of RefChem:563568 is 27982-34-9.
What is the molecular formula of RefChem:563568?
The molecular formula of RefChem:563568 is C36H46N2O5.
What is the molecular weight of RefChem:563568?
The molecular weight of RefChem:563568 is 586.34 g/mol.
Where can I buy RefChem:563568?
You can request a quote for RefChem:563568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563568?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.