5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 878208-76-5) is a chemical compound with molecular formula C15H23N3O and molecular weight 261.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one
Also Known As: 5-(1-ADAMANTYL)-4-(2-AMINOETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, 5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one, 5-(Adamantan-1-yl)-4-(2-aminoethyl)-1H-pyrazol-3(2H)-one, 4-(2-aminoethyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C15H23N3O |
|---|---|
| Molecular Weight | 261.18 g/mol |
| LogP | 1.672 |
| Topological Polar Surface Area | 74.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1841 |
| Heavy Atoms | 19 |
| Complexity | 506.54654 |
Chemical Identifiers
| CAS Number | 878208-76-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=C(C(=O)NN4)CCN |
Product Overview
5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 878208-76-5), with molecular formula C15H23N3O and molecular weight 261.18 g/mol. IUPAC: 5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 1.672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 74.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one has 3 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 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one is 878208-76-5.
What is the molecular formula of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one is C15H23N3O.
What is the molecular weight of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one is 261.18 g/mol.
Where can I buy 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-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 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Adamantyl)-4-(2-aminoethyl)-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.