RefChem:121988
TL;DR: RefChem:121988 (CAS 63059-49-4) is a chemical compound with molecular formula C33H48Cl2N4O3 and molecular weight 618.31 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;dihydrochloride
Also Known As: Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, dihydrochloride, Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, hydrochloride (1:2), Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-, dihydrochloride, Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-, hydrochloride (1:2), 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)butyramide dihydrochloride
| Molecular Formula | C33H48Cl2N4O3 |
|---|---|
| Molecular Weight | 618.31 g/mol |
| LogP | 7.8475 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 618.31036 |
| Heavy Atoms | 42 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 63059-49-4 |
|---|---|
| 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.Cl.Cl |
| InChIKey | FCWFPYYRGLTGGJ-UHFFFAOYSA-N |
Product Overview
RefChem:121988 (CAS 63059-49-4), with molecular formula C33H48Cl2N4O3 and molecular weight 618.31 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;dihydrochloride.
Chemical Property Profile of RefChem:121988
Property Insights of RefChem:121988
The XLogP value of 7.8475 indicates that RefChem:121988 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:121988. Following Lipinski's Rule of Five, RefChem:121988 has 3 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:121988?
The CAS number of RefChem:121988 is 63059-49-4.
What is the molecular formula of RefChem:121988?
The molecular formula of RefChem:121988 is C33H48Cl2N4O3.
What is the molecular weight of RefChem:121988?
The molecular weight of RefChem:121988 is 618.31 g/mol.
Where can I buy RefChem:121988?
You can request a quote for RefChem:121988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:121988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:121988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.