Bionet1_001833
TL;DR: Bionet1_001833 (CAS 339106-44-4) is a chemical compound with molecular formula C13H11ClF3N3OS and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-(dimethylaminomethylidene)-3-oxobutanenitrile
Also Known As: Bionet1_001833, 2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)-3-(dimethylamino)acrylonitrile, 4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-2-[(dimethylamino)methylene]-3-oxobutanenitrile, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-(dimethylaminomethylidene)-3-oxobutanenitrile, 4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}-2-[(DIMETHYLAMINO)METHYLIDENE]-3-OXOBUTANENITRILE
| Molecular Formula | C13H11ClF3N3OS |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.38408 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.02634 |
| Heavy Atoms | 22 |
| Complexity | 638.39795 |
Chemical Identifiers
| CAS Number | 339106-44-4 |
|---|---|
| SMILES | CN(C)C=C(C#N)C(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
Bionet1_001833 (CAS 339106-44-4), with molecular formula C13H11ClF3N3OS and molecular weight 349.03 g/mol. IUPAC: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-(dimethylaminomethylidene)-3-oxobutanenitrile.
Chemical Property Profile of Bionet1_001833
Property Insights of Bionet1_001833
The XLogP value of 3.38408 indicates that Bionet1_001833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, Bionet1_001833 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_001833 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 Bionet1_001833?
The CAS number of Bionet1_001833 is 339106-44-4.
What is the molecular formula of Bionet1_001833?
The molecular formula of Bionet1_001833 is C13H11ClF3N3OS.
What is the molecular weight of Bionet1_001833?
The molecular weight of Bionet1_001833 is 349.03 g/mol.
Where can I buy Bionet1_001833?
You can request a quote for Bionet1_001833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001833?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.