ChemDiv3_001259
TL;DR: ChemDiv3_001259 (CAS 330209-22-8) is a chemical compound with molecular formula C20H12F3N3O2S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: ChemDiv3_001259, (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((3-(trifluoromethyl)phenyl)amino)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
| Molecular Formula | C20H12F3N3O2S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.53418 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06024 |
| Heavy Atoms | 29 |
| Complexity | 1132.4855 |
Chemical Identifiers
| CAS Number | 330209-22-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/NC4=CC=CC(=C4)C(F)(F)F)/C#N |
Product Overview
ChemDiv3_001259 (CAS 330209-22-8), with molecular formula C20H12F3N3O2S and molecular weight 415.06 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of ChemDiv3_001259
Property Insights of ChemDiv3_001259
The XLogP value of 5.53418 indicates that ChemDiv3_001259 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001259. Following Lipinski's Rule of Five, ChemDiv3_001259 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_001259?
The CAS number of ChemDiv3_001259 is 330209-22-8.
What is the molecular formula of ChemDiv3_001259?
The molecular formula of ChemDiv3_001259 is C20H12F3N3O2S.
What is the molecular weight of ChemDiv3_001259?
The molecular weight of ChemDiv3_001259 is 415.06 g/mol.
Where can I buy ChemDiv3_001259?
You can request a quote for ChemDiv3_001259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001259?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.