3-amino-2-octan-2-yl-1H-pyrazol-5-one
TL;DR: 3-amino-2-octan-2-yl-1H-pyrazol-5-one (CAS 714255-69-3) is a chemical compound with molecular formula C11H21N3O and molecular weight 211.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-octan-2-yl-1H-pyrazol-5-one
Also Known As: 3-amino-2-octan-2-yl-1H-pyrazol-5-one, 5-amino-1-(octan-2-yl)-1H-pyrazol-3-ol, 5-Amino-1-(1-methyl-heptyl)-1H-pyrazol-3-ol, 5-amino-1-(octan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H21N3O |
|---|---|
| Molecular Weight | 211.17 g/mol |
| LogP | 2.29 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.16846 |
| Heavy Atoms | 15 |
| Complexity | 339.84738 |
Chemical Identifiers
| CAS Number | 714255-69-3 |
|---|---|
| SMILES | CCCCCCC(C)N1C(=CC(=O)N1)N |
Product Overview
3-amino-2-octan-2-yl-1H-pyrazol-5-one (CAS 714255-69-3), with molecular formula C11H21N3O and molecular weight 211.17 g/mol. IUPAC: 3-amino-2-octan-2-yl-1H-pyrazol-5-one.
Chemical Property Profile of 3-amino-2-octan-2-yl-1H-pyrazol-5-one
Property Insights of 3-amino-2-octan-2-yl-1H-pyrazol-5-one
The XLogP value of 2.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-octan-2-yl-1H-pyrazol-5-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-octan-2-yl-1H-pyrazol-5-one. Following Lipinski's Rule of Five, 3-amino-2-octan-2-yl-1H-pyrazol-5-one has 2 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 3-amino-2-octan-2-yl-1H-pyrazol-5-one?
The CAS number of 3-amino-2-octan-2-yl-1H-pyrazol-5-one is 714255-69-3.
What is the molecular formula of 3-amino-2-octan-2-yl-1H-pyrazol-5-one?
The molecular formula of 3-amino-2-octan-2-yl-1H-pyrazol-5-one is C11H21N3O.
What is the molecular weight of 3-amino-2-octan-2-yl-1H-pyrazol-5-one?
The molecular weight of 3-amino-2-octan-2-yl-1H-pyrazol-5-one is 211.17 g/mol.
Where can I buy 3-amino-2-octan-2-yl-1H-pyrazol-5-one?
You can request a quote for 3-amino-2-octan-2-yl-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-octan-2-yl-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-octan-2-yl-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.