![2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile structure](/static/products/3442/344263-36-1.webp)
2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile
TL;DR: 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile (CAS 344263-36-1) is a chemical compound with molecular formula C13H12ClF6N5O and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-hydroxybutanenitrile
Also Known As: 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile, 3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-hydroxybutanenitrile
| Molecular Formula | C13H12ClF6N5O |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 2.89028 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06345 |
| Heavy Atoms | 26 |
| Complexity | 727.2055 |
Chemical Identifiers
| CAS Number | 344263-36-1 |
|---|---|
| SMILES | CN(C)C=C(C#N)C(C(F)(F)F)(NNC1=C(C=C(C=N1)C(F)(F)F)Cl)O |
Product Overview
2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile (CAS 344263-36-1), with molecular formula C13H12ClF6N5O and molecular weight 403.06 g/mol. IUPAC: 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-hydroxybutanenitrile.
Chemical Property Profile of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile
Property Insights of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile
The XLogP value of 2.89028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile. Following Lipinski's Rule of Five, 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile has 3 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 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile?
The CAS number of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile is 344263-36-1.
What is the molecular formula of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile?
The molecular formula of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile is C13H12ClF6N5O.
What is the molecular weight of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile?
The molecular weight of 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile is 403.06 g/mol.
Where can I buy 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile?
You can request a quote for 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2,2,2-trifluoro-1-hydroxyethyl)-3-(dimethylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.