![3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide structure](/static/products/7163/716363-75-6.webp)
3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
TL;DR: 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide (CAS 716363-75-6) is a chemical compound with molecular formula C18H9ClF3N3O2S and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
Also Known As: 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide, (Z)-3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
| Molecular Formula | C18H9ClF3N3O2S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 5.39398 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0056 |
| Heavy Atoms | 28 |
| Complexity | 1101.9467 |
Chemical Identifiers
| CAS Number | 716363-75-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(/C#N)\C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)Cl |
Product Overview
3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide (CAS 716363-75-6), with molecular formula C18H9ClF3N3O2S and molecular weight 423.01 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide.
Chemical Property Profile of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
Property Insights of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide
The XLogP value of 5.39398 indicates that 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide?
The CAS number of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide is 716363-75-6.
What is the molecular formula of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide?
The molecular formula of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide is C18H9ClF3N3O2S.
What is the molecular weight of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide?
The molecular weight of 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide is 423.01 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide?
You can request a quote for 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-cyano-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.