RefChem:570654
TL;DR: RefChem:570654 (CAS 30707-78-9) is a chemical compound with molecular formula C33H46N4O3 and molecular weight 546.36 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-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide
Also Known As: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-{4-[5-oxo-3-(pyrrolidin-1-yl)-4,5-dihydro-1h-pyrazol-1-yl]phenyl}butanamide, Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-, Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-(4,5-dihydro-5-oxo-3-pyrrolizino-1H-pyrazole-1-yl)phenyl]butanamide, 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol]-1-yl]phenyl]butanamide
| Molecular Formula | C33H46N4O3 |
|---|---|
| Molecular Weight | 546.36 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.357 |
| Heavy Atoms | 40 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 30707-78-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)CC(=N2)N3CCCC3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC |
| InChIKey | DHWXAXQBUFPPPW-UHFFFAOYSA-N |
Product Overview
RefChem:570654 (CAS 30707-78-9), with molecular formula C33H46N4O3 and molecular weight 546.36 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide.
Chemical Property Profile of RefChem:570654
Property Insights of RefChem:570654
The XLogP value of 7.7 indicates that RefChem:570654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:570654. Following Lipinski's Rule of Five, RefChem:570654 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:570654?
The CAS number of RefChem:570654 is 30707-78-9.
What is the molecular formula of RefChem:570654?
The molecular formula of RefChem:570654 is C33H46N4O3.
What is the molecular weight of RefChem:570654?
The molecular weight of RefChem:570654 is 546.36 g/mol.
Where can I buy RefChem:570654?
You can request a quote for RefChem:570654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:570654?
Yes, KEHONG BIO provides custom synthesis services for RefChem:570654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.