SP 125
TL;DR: SP 125 (CAS 87792-15-2) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SP 125
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate
Also Known As: SP 125, 4-Butyl-1,2-dihydro-5-((3,4-methylenedioxybenzoyl)oxy)-1,2-diphenyl-3H-pyrazol-3-one, 3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-hydroxy-, 3,4-methylenedioxybenzoate (ester), 4-Butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one 3,4-methylenedioxybenzoate (ester), 1,3-Benzodioxole-5-carboxylic acid, 2,5-dihydro-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl ester
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 87792-15-2 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | RMPOBZVILCTPIS-UHFFFAOYSA-N |
Product Overview
SP 125 (CAS 87792-15-2), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of SP 125
Property Insights of SP 125
The XLogP value of 6.5 indicates that SP 125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for SP 125. Following Lipinski's Rule of Five, SP 125 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 SP 125?
The CAS number of SP 125 is 87792-15-2.
What is the molecular formula of SP 125?
The molecular formula of SP 125 is C27H24N2O5.
What is the molecular weight of SP 125?
The molecular weight of SP 125 is 456.17 g/mol.
Where can I buy SP 125?
You can request a quote for SP 125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SP 125?
Yes, KEHONG BIO provides custom synthesis services for SP 125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.