3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)
TL;DR: 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) (CAS 16006-72-7) is a chemical compound with molecular formula C26H24N2O3 and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) benzoate
Also Known As: VUFB4685a, Benzoate de phenylbutazone, Benzoate de phenylbutazone [French], 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester), 5-25-01-00044 (Beilstein Handbook Reference)
| Molecular Formula | C26H24N2O3 |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.17868 |
| Heavy Atoms | 31 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 16006-72-7 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | MIVNCMFURGSPBC-UHFFFAOYSA-N |
Product Overview
3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) (CAS 16006-72-7), with molecular formula C26H24N2O3 and molecular weight 412.18 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) benzoate.
Chemical Property Profile of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)
Property Insights of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)
The XLogP value of 6.7 indicates that 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)?
The CAS number of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) is 16006-72-7.
What is the molecular formula of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)?
The molecular formula of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) is C26H24N2O3.
What is the molecular weight of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)?
The molecular weight of 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) is 412.18 g/mol.
Where can I buy 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)?
You can request a quote for 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.