RefChem:324099
TL;DR: RefChem:324099 (CAS 42190-64-7) is a chemical compound with molecular formula C28H26N2O5 and molecular weight 470.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate
Also Known As: Benzeneacetic acid, (3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl)methyl ester, (3,5-Dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl)methyl benzeneacetate, [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate, [3,5-Dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl phenylacetate, BRN 0729617
| Molecular Formula | C28H26N2O5 |
|---|---|
| Molecular Weight | 470.18 g/mol |
| LogP | 4.1229 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.18417 |
| Heavy Atoms | 35 |
| Complexity | 1154.3695 |
Chemical Identifiers
| CAS Number | 42190-64-7 |
|---|---|
| SMILES | CC(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CC4=CC=CC=C4 |
Product Overview
RefChem:324099 (CAS 42190-64-7), with molecular formula C28H26N2O5 and molecular weight 470.18 g/mol. IUPAC: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate.
Chemical Property Profile of RefChem:324099
Property Insights of RefChem:324099
The XLogP value of 4.1229 indicates that RefChem:324099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:324099. Following Lipinski's Rule of Five, RefChem:324099 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:324099?
The CAS number of RefChem:324099 is 42190-64-7.
What is the molecular formula of RefChem:324099?
The molecular formula of RefChem:324099 is C28H26N2O5.
What is the molecular weight of RefChem:324099?
The molecular weight of RefChem:324099 is 470.18 g/mol.
Where can I buy RefChem:324099?
You can request a quote for RefChem:324099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:324099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:324099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.