RefChem:329363
TL;DR: RefChem:329363 (CAS 16299-99-3) is a chemical compound with molecular formula C20H26ClF3N2O and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]bicyclo[3.3.1]nonan-9-one;hydrochloride
Also Known As: 2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)bicyclo(3.3.1)nonan-9-one hydrochloride, Bicyclo(3.3.1)nonan-9-one, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydrochloride, 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]bicyclo[3.3.1]nonan-9-one hydrochloride, 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}bicyclo[3.3.1]nonan-9-one--hydrogen chloride (1/1), RefChem:329363
| Molecular Formula | C20H26ClF3N2O |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 4.397 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.16858 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 16299-99-3 |
|---|---|
| SMILES | C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl |
| InChIKey | JUEWIXYNFSAJES-UHFFFAOYSA-N |
Product Overview
RefChem:329363 (CAS 16299-99-3), with molecular formula C20H26ClF3N2O and molecular weight 402.17 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]bicyclo[3.3.1]nonan-9-one;hydrochloride.
Chemical Property Profile of RefChem:329363
Property Insights of RefChem:329363
The XLogP value of 4.397 indicates that RefChem:329363 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:329363 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329363 has 1 hydrogen bond donor(s) and 6 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 RefChem:329363?
The CAS number of RefChem:329363 is 16299-99-3.
What is the molecular formula of RefChem:329363?
The molecular formula of RefChem:329363 is C20H26ClF3N2O.
What is the molecular weight of RefChem:329363?
The molecular weight of RefChem:329363 is 402.17 g/mol.
Where can I buy RefChem:329363?
You can request a quote for RefChem:329363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329363?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.