RefChem:326782
TL;DR: RefChem:326782 (CAS 42190-60-3) is a chemical compound with molecular formula C29H28N2O6 and molecular weight 500.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2-acetyloxybenzoate
Also Known As: Benzoic acid, 2-(acetyloxy)-, (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester, (4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl 2-(acetyloxy)benzoate, (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2-acetyloxybenzoate, (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2-(acetyloxy)benzoate, BRN 0733587
| Molecular Formula | C29H28N2O6 |
|---|---|
| Molecular Weight | 500.19 g/mol |
| LogP | 4.9403 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.19473 |
| Heavy Atoms | 37 |
| Complexity | 1234.5186 |
Chemical Identifiers
| CAS Number | 42190-60-3 |
|---|---|
| SMILES | CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4OC(=O)C |
Product Overview
RefChem:326782 (CAS 42190-60-3), with molecular formula C29H28N2O6 and molecular weight 500.19 g/mol. IUPAC: (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2-acetyloxybenzoate.
Chemical Property Profile of RefChem:326782
Property Insights of RefChem:326782
The XLogP value of 4.9403 indicates that RefChem:326782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326782. Following Lipinski's Rule of Five, RefChem:326782 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326782?
The CAS number of RefChem:326782 is 42190-60-3.
What is the molecular formula of RefChem:326782?
The molecular formula of RefChem:326782 is C29H28N2O6.
What is the molecular weight of RefChem:326782?
The molecular weight of RefChem:326782 is 500.19 g/mol.
Where can I buy RefChem:326782?
You can request a quote for RefChem:326782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326782?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.