RefChem:327012
TL;DR: RefChem:327012 (CAS 16006-75-0) is a chemical compound with molecular formula C29H28N2O7 and molecular weight 516.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate
Also Known As: gamma -Hydroxy Phenylbutazone, 3,4,5-Trimethoxybenzoate de gamma-ceto-phenylbutazone, 3,4,5-Trimethoxybenzoate de gamma-ceto-phenylbutazone [French], Benzoic acid, 3,4,5-trimethoxy-, ester with 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-3-pyrazolin-5-one, [5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate
| Molecular Formula | C29H28N2O7 |
|---|---|
| Molecular Weight | 516.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.18964 |
| Heavy Atoms | 38 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 16006-75-0 |
|---|---|
| SMILES | CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | NPACHMXGQKWFIO-UHFFFAOYSA-N |
Product Overview
RefChem:327012 (CAS 16006-75-0), with molecular formula C29H28N2O7 and molecular weight 516.19 g/mol. IUPAC: [5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:327012
Property Insights of RefChem:327012
The XLogP value of 4.6 indicates that RefChem:327012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327012. Following Lipinski's Rule of Five, RefChem:327012 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327012?
The CAS number of RefChem:327012 is 16006-75-0.
What is the molecular formula of RefChem:327012?
The molecular formula of RefChem:327012 is C29H28N2O7.
What is the molecular weight of RefChem:327012?
The molecular weight of RefChem:327012 is 516.19 g/mol.
Where can I buy RefChem:327012?
You can request a quote for RefChem:327012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.