2,2,2-Trichloroethyl piperidine-1-carboxylate
TL;DR: 2,2,2-Trichloroethyl piperidine-1-carboxylate (CAS 40952-39-4) is a chemical compound with molecular formula C8H12Cl3NO2 and molecular weight 258.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl piperidine-1-carboxylate
Also Known As: 2,2,2-trichloroethyl piperidine-1-carboxylate
| Molecular Formula | C8H12Cl3NO2 |
|---|---|
| Molecular Weight | 258.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.99335 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 40952-39-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)OCC(Cl)(Cl)Cl |
| InChIKey | NKWPBDOGGJDHOD-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloroethyl piperidine-1-carboxylate (CAS 40952-39-4), with molecular formula C8H12Cl3NO2 and molecular weight 258.99 g/mol. IUPAC: 2,2,2-trichloroethyl piperidine-1-carboxylate.
Chemical Property Profile of 2,2,2-Trichloroethyl piperidine-1-carboxylate
Property Insights of 2,2,2-Trichloroethyl piperidine-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloroethyl piperidine-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, 2,2,2-Trichloroethyl piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl piperidine-1-carboxylate has 0 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 2,2,2-Trichloroethyl piperidine-1-carboxylate?
The CAS number of 2,2,2-Trichloroethyl piperidine-1-carboxylate is 40952-39-4.
What is the molecular formula of 2,2,2-Trichloroethyl piperidine-1-carboxylate?
The molecular formula of 2,2,2-Trichloroethyl piperidine-1-carboxylate is C8H12Cl3NO2.
What is the molecular weight of 2,2,2-Trichloroethyl piperidine-1-carboxylate?
The molecular weight of 2,2,2-Trichloroethyl piperidine-1-carboxylate is 258.99 g/mol.
Where can I buy 2,2,2-Trichloroethyl piperidine-1-carboxylate?
You can request a quote for 2,2,2-Trichloroethyl piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.