SP 123
TL;DR: SP 123 (CAS 87792-13-0) is a chemical compound with molecular formula C30H34N2O3 and molecular weight 470.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SP 123
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate
Also Known As: SP 123, 4-Butyl-1,2-dihydro-5-((1-adamantanecarbonyl)oxy)-1,2-diphenyl-3H-pyrazol-3-one, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 2,5-dihydro-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl ester, (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate, 4-BUTYL-5-OXO-1,2-DIPHENYL-2,5-DIHYDRO-1H-PYRAZOL-3-YL ADAMANTANE-1-CARBOXYLATE
| Molecular Formula | C30H34N2O3 |
|---|---|
| Molecular Weight | 470.26 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.25696 |
| Heavy Atoms | 35 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 87792-13-0 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5 |
| InChIKey | FOBIEMIYPMYDIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SP 123 (CAS 87792-13-0), with molecular formula C30H34N2O3 and molecular weight 470.26 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate.
Chemical Property Profile of SP 123
Property Insights of SP 123
The XLogP value of 7.6 indicates that SP 123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, SP 123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SP 123 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 SP 123?
The CAS number of SP 123 is 87792-13-0.
What is the molecular formula of SP 123?
The molecular formula of SP 123 is C30H34N2O3.
What is the molecular weight of SP 123?
The molecular weight of SP 123 is 470.26 g/mol.
Where can I buy SP 123?
You can request a quote for SP 123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SP 123?
Yes, KEHONG BIO provides custom synthesis services for SP 123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.