Brn 0732851
TL;DR: Brn 0732851 (CAS 42190-69-2) is a chemical compound with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate
Also Known As: Benzeneacetic acid, (4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester, [4-(4,4-Dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]methyl phenylacetate, [4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate, BRN 0732851, RefChem:330209
| Molecular Formula | C31H32N2O5 |
|---|---|
| Molecular Weight | 512.23 g/mol |
| LogP | 5.1491 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.23114 |
| Heavy Atoms | 38 |
| Complexity | 1242.8612 |
Chemical Identifiers
| CAS Number | 42190-69-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CC4=CC=CC=C4 |
Product Overview
Brn 0732851 (CAS 42190-69-2), with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol. IUPAC: [4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate.
Chemical Property Profile of Brn 0732851
Property Insights of Brn 0732851
The XLogP value of 5.1491 indicates that Brn 0732851 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 Brn 0732851. Following Lipinski's Rule of Five, Brn 0732851 has 0 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 Brn 0732851?
The CAS number of Brn 0732851 is 42190-69-2.
What is the molecular formula of Brn 0732851?
The molecular formula of Brn 0732851 is C31H32N2O5.
What is the molecular weight of Brn 0732851?
The molecular weight of Brn 0732851 is 512.23 g/mol.
Where can I buy Brn 0732851?
You can request a quote for Brn 0732851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brn 0732851?
Yes, KEHONG BIO provides custom synthesis services for Brn 0732851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.