RefChem:326779
TL;DR: RefChem:326779 (CAS 42190-66-9) is a chemical compound with molecular formula C34H28N2O7 and molecular weight 576.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-acetyloxybenzoate
Also Known As: Benzoic acid, 2-(acetyloxy)-, (3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenyl-4-pyrazolidinyl)methyl ester, [3,5-Dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-(acetyloxy)benzoate, [3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-acetyloxybenzoate, BRN 0736295, RefChem:326779
| Molecular Formula | C34H28N2O7 |
|---|---|
| Molecular Weight | 576.19 g/mol |
| LogP | 5.4132 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.18964 |
| Heavy Atoms | 43 |
| Complexity | 1598.6852 |
Chemical Identifiers
| CAS Number | 42190-66-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCC2(C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)C5=CC=CC=C5 |
Product Overview
RefChem:326779 (CAS 42190-66-9), with molecular formula C34H28N2O7 and molecular weight 576.19 g/mol. IUPAC: [3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-acetyloxybenzoate.
Chemical Property Profile of RefChem:326779
Property Insights of RefChem:326779
The XLogP value of 5.4132 indicates that RefChem:326779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326779. Following Lipinski's Rule of Five, RefChem:326779 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326779?
The CAS number of RefChem:326779 is 42190-66-9.
What is the molecular formula of RefChem:326779?
The molecular formula of RefChem:326779 is C34H28N2O7.
What is the molecular weight of RefChem:326779?
The molecular weight of RefChem:326779 is 576.19 g/mol.
Where can I buy RefChem:326779?
You can request a quote for RefChem:326779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326779?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.