![2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate structure](/static/products/3384/338415-44-4.webp)
2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate
TL;DR: 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate (CAS 338415-44-4) is a chemical compound with molecular formula C20H21ClF3N3O2 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl 4-methylbenzoate
Also Known As: 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl 4-methylbenzoate, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl4-methylbenzoate
| Molecular Formula | C20H21ClF3N3O2 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 4.04122 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.12744 |
| Heavy Atoms | 29 |
| Complexity | 851.0402 |
Chemical Identifiers
| CAS Number | 338415-44-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate (CAS 338415-44-4), with molecular formula C20H21ClF3N3O2 and molecular weight 427.13 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl 4-methylbenzoate.
Chemical Property Profile of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate
Property Insights of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate
The XLogP value of 4.04122 indicates that 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate has 0 hydrogen bond donor(s) and 5 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-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate?
The CAS number of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate is 338415-44-4.
What is the molecular formula of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate?
The molecular formula of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate is C20H21ClF3N3O2.
What is the molecular weight of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate?
The molecular weight of 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate is 427.13 g/mol.
Where can I buy 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate?
You can request a quote for 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.