![1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone structure](/static/products/3390/339098-58-7.webp)
1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
TL;DR: 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone (CAS 339098-58-7) is a chemical compound with molecular formula C21H25ClF3N3O and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
Also Known As: 1-adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone, 8K-909, 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone, 1-(adamantane-1-carbonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine, 1-ADAMANTYL(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHANONE
| Molecular Formula | C21H25ClF3N3O |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 4.6188 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.16382 |
| Heavy Atoms | 29 |
| Complexity | 784.5954 |
Chemical Identifiers
| CAS Number | 339098-58-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone (CAS 339098-58-7), with molecular formula C21H25ClF3N3O and molecular weight 427.16 g/mol. IUPAC: 1-adamantyl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
Chemical Property Profile of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
Property Insights of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
The XLogP value of 4.6188 indicates that 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone 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 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone?
The CAS number of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone is 339098-58-7.
What is the molecular formula of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone?
The molecular formula of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone is C21H25ClF3N3O.
What is the molecular weight of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone?
The molecular weight of 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone is 427.16 g/mol.
Where can I buy 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone?
You can request a quote for 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.