![2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid structure](/static/products/4000/400088-70-2.webp)
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid
TL;DR: 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid (CAS 400088-70-2) is a chemical compound with molecular formula C12H13ClF3N3O2 and molecular weight 323.06 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]acetic acid
Also Known As: 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetic Acid, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetic acid, {4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetic acid, 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetic acid
| Molecular Formula | C12H13ClF3N3O2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 1.9604 |
| Topological Polar Surface Area | 56.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.06485 |
| Heavy Atoms | 21 |
| Complexity | 530.9692 |
Chemical Identifiers
| CAS Number | 400088-70-2 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid (CAS 400088-70-2), with molecular formula C12H13ClF3N3O2 and molecular weight 323.06 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid.
Chemical Property Profile of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid
Property Insights of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid
The XLogP value of 1.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid. With a topological polar surface area (TPSA) of 56.67 Ų, 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid 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}acetic acid 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 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid?
The CAS number of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid is 400088-70-2.
What is the molecular formula of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid?
The molecular formula of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid is C12H13ClF3N3O2.
What is the molecular weight of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid?
The molecular weight of 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid is 323.06 g/mol.
Where can I buy 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid?
You can request a quote for 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid 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}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.