2-octanoyl-5-propyl-4H-pyrazol-3-one
TL;DR: 2-octanoyl-5-propyl-4H-pyrazol-3-one (CAS 712288-08-9) is a chemical compound with molecular formula C14H24N2O2 and molecular weight 252.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octanoyl-5-propyl-4H-pyrazol-3-one
Also Known As: 2-octanoyl-5-propyl-4H-pyrazol-3-one, 1-octanoyl-3-propyl-1h-pyrazol-5(4h)-one
| Molecular Formula | C14H24N2O2 |
|---|---|
| Molecular Weight | 252.18 g/mol |
| LogP | 3.2619 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.18378 |
| Heavy Atoms | 18 |
| Complexity | 323.75568 |
Chemical Identifiers
| CAS Number | 712288-08-9 |
|---|---|
| SMILES | CCCCCCCC(=O)N1C(=O)CC(=N1)CCC |
Product Overview
2-octanoyl-5-propyl-4H-pyrazol-3-one (CAS 712288-08-9), with molecular formula C14H24N2O2 and molecular weight 252.18 g/mol. IUPAC: 2-octanoyl-5-propyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-octanoyl-5-propyl-4H-pyrazol-3-one
Property Insights of 2-octanoyl-5-propyl-4H-pyrazol-3-one
The XLogP value of 3.2619 indicates that 2-octanoyl-5-propyl-4H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 2-octanoyl-5-propyl-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-octanoyl-5-propyl-4H-pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-octanoyl-5-propyl-4H-pyrazol-3-one?
The CAS number of 2-octanoyl-5-propyl-4H-pyrazol-3-one is 712288-08-9.
What is the molecular formula of 2-octanoyl-5-propyl-4H-pyrazol-3-one?
The molecular formula of 2-octanoyl-5-propyl-4H-pyrazol-3-one is C14H24N2O2.
What is the molecular weight of 2-octanoyl-5-propyl-4H-pyrazol-3-one?
The molecular weight of 2-octanoyl-5-propyl-4H-pyrazol-3-one is 252.18 g/mol.
Where can I buy 2-octanoyl-5-propyl-4H-pyrazol-3-one?
You can request a quote for 2-octanoyl-5-propyl-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-octanoyl-5-propyl-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-octanoyl-5-propyl-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.