![(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide structure](/static/products/100/1009769-99-6.png)
(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
TL;DR: (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide (CAS 1009769-99-6) is a chemical compound with molecular formula C28H20FN5O2S2 and molecular weight 541.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Also Known As: (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide, (E)-3-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)acrylamide, (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
| Molecular Formula | C28H20FN5O2S2 |
|---|---|
| Molecular Weight | 541.10 g/mol |
| LogP | 6.1568 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.10425 |
| Heavy Atoms | 38 |
| Complexity | 1582.8207 |
Chemical Identifiers
| CAS Number | 1009769-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5 |
Product Overview
(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide (CAS 1009769-99-6), with molecular formula C28H20FN5O2S2 and molecular weight 541.10 g/mol. IUPAC: (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
Chemical Property Profile of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
Property Insights of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
The XLogP value of 6.1568 indicates that (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide?
The CAS number of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide is 1009769-99-6.
What is the molecular formula of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide?
The molecular formula of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide is C28H20FN5O2S2.
What is the molecular weight of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide?
The molecular weight of (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide is 541.10 g/mol.
Where can I buy (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide?
You can request a quote for (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]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 (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.