5-ISOBUTYL-PIPERAZIN-2-ONE
TL;DR: 5-ISOBUTYL-PIPERAZIN-2-ONE (CAS 106613-68-7) is a chemical compound with molecular formula C18H18F3N3O2 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: 5-ISOBUTYL-PIPERAZIN-2-ONE, 6-Isopropoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine, Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, 1-methylethyl ester, propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate, Pyrazolo[1,5-a]pyrimidine-6-carboxylicacid, 4,7-dihydro-5-methyl-7-[2-(trifluoromethyl)phenyl]-, 1-methylethyl ester
| Molecular Formula | C18H18F3N3O2 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 4.1424 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1351 |
| Heavy Atoms | 26 |
| Complexity | 868.5614 |
Chemical Identifiers
| CAS Number | 106613-68-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=CC=N2)N1)C3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C |
Product Overview
5-ISOBUTYL-PIPERAZIN-2-ONE (CAS 106613-68-7), with molecular formula C18H18F3N3O2 and molecular weight 365.14 g/mol. IUPAC: propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 5-ISOBUTYL-PIPERAZIN-2-ONE
Property Insights of 5-ISOBUTYL-PIPERAZIN-2-ONE
The XLogP value of 4.1424 indicates that 5-ISOBUTYL-PIPERAZIN-2-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 5-ISOBUTYL-PIPERAZIN-2-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-ISOBUTYL-PIPERAZIN-2-ONE has 1 hydrogen bond donor(s) and 4 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-ISOBUTYL-PIPERAZIN-2-ONE?
The CAS number of 5-ISOBUTYL-PIPERAZIN-2-ONE is 106613-68-7.
What is the molecular formula of 5-ISOBUTYL-PIPERAZIN-2-ONE?
The molecular formula of 5-ISOBUTYL-PIPERAZIN-2-ONE is C18H18F3N3O2.
What is the molecular weight of 5-ISOBUTYL-PIPERAZIN-2-ONE?
The molecular weight of 5-ISOBUTYL-PIPERAZIN-2-ONE is 365.14 g/mol.
Where can I buy 5-ISOBUTYL-PIPERAZIN-2-ONE?
You can request a quote for 5-ISOBUTYL-PIPERAZIN-2-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ISOBUTYL-PIPERAZIN-2-ONE?
Yes, KEHONG BIO provides custom synthesis services for 5-ISOBUTYL-PIPERAZIN-2-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.