![3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile structure](/static/products/3391/339103-92-3.webp)
3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile
TL;DR: 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile (CAS 339103-92-3) is a chemical compound with molecular formula C13H13ClF3N5 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-iminopropanenitrile
Also Known As: 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile, 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-3-iminopropanenitrile, 9F-959, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-iminopropanenitrile, 3-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-3-iminopropionitrile
| Molecular Formula | C13H13ClF3N5 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.76675 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08115 |
| Heavy Atoms | 22 |
| Complexity | 602.67365 |
Chemical Identifiers
| CAS Number | 339103-92-3 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=N)CC#N |
Product Overview
3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile (CAS 339103-92-3), with molecular formula C13H13ClF3N5 and molecular weight 331.08 g/mol. IUPAC: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-iminopropanenitrile.
Chemical Property Profile of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile
Property Insights of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile
The XLogP value of 2.76675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile. Following Lipinski's Rule of Five, 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile 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 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile?
The CAS number of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile is 339103-92-3.
What is the molecular formula of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile?
The molecular formula of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile is C13H13ClF3N5.
What is the molecular weight of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile?
The molecular weight of 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile is 331.08 g/mol.
Where can I buy 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile?
You can request a quote for 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-iminopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.