1-(1H-Pyrazol-1-yl)octan-1-one
TL;DR: 1-(1H-Pyrazol-1-yl)octan-1-one (CAS 541545-95-3) is a chemical compound with molecular formula C11H18N2O and molecular weight 194.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrazol-1-yloctan-1-one
Also Known As: 1-pyrazol-1-yloctan-1-one, 1-(1H-Pyrazol-1-yl)octan-1-one, 1H-PYRAZOLE, 1-(1-OXOOCTYL)-, 1H-Pyrazole, 1-(1-oxooctyl)- (9CI)
| Molecular Formula | C11H18N2O |
|---|---|
| Molecular Weight | 194.14 g/mol |
| LogP | 2.8838 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.1419 |
| Heavy Atoms | 14 |
| Complexity | 254.26106 |
Chemical Identifiers
| CAS Number | 541545-95-3 |
|---|---|
| SMILES | CCCCCCCC(=O)N1C=CC=N1 |
Product Overview
1-(1H-Pyrazol-1-yl)octan-1-one (CAS 541545-95-3), with molecular formula C11H18N2O and molecular weight 194.14 g/mol. IUPAC: 1-pyrazol-1-yloctan-1-one.
Chemical Property Profile of 1-(1H-Pyrazol-1-yl)octan-1-one
Property Insights of 1-(1H-Pyrazol-1-yl)octan-1-one
The XLogP value of 2.8838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Pyrazol-1-yl)octan-1-one. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(1H-Pyrazol-1-yl)octan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Pyrazol-1-yl)octan-1-one has 0 hydrogen bond donor(s) and 2 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 1-(1H-Pyrazol-1-yl)octan-1-one?
The CAS number of 1-(1H-Pyrazol-1-yl)octan-1-one is 541545-95-3.
What is the molecular formula of 1-(1H-Pyrazol-1-yl)octan-1-one?
The molecular formula of 1-(1H-Pyrazol-1-yl)octan-1-one is C11H18N2O.
What is the molecular weight of 1-(1H-Pyrazol-1-yl)octan-1-one?
The molecular weight of 1-(1H-Pyrazol-1-yl)octan-1-one is 194.14 g/mol.
Where can I buy 1-(1H-Pyrazol-1-yl)octan-1-one?
You can request a quote for 1-(1H-Pyrazol-1-yl)octan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Pyrazol-1-yl)octan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Pyrazol-1-yl)octan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.