![3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- structure](/static/products/6925/69258-07-7.webp)
3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-
TL;DR: 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- (CAS 69258-07-7) is a chemical compound with molecular formula C14H16F3NOS and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
Also Known As: 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-(3-(trifluoromethyl)phenyl)-, 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-, 1-(Ethylthio)-4-(methylamino)-3-(3-(trifluoromethyl)phenyl)-3-buten-2-one, RefChem:277850
| Molecular Formula | C14H16F3NOS |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.09048 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 69258-07-7 |
|---|---|
| SMILES | CCSCC(=O)C(=CNC)C1=CC(=CC=C1)C(F)(F)F |
| InChIKey | NZWZFHWYJMSCNF-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- (CAS 69258-07-7), with molecular formula C14H16F3NOS and molecular weight 303.09 g/mol. IUPAC: 1-ethylsulfanyl-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-
Property Insights of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-
The XLogP value of 4.3 indicates that 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- has 1 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 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-?
The CAS number of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- is 69258-07-7.
What is the molecular formula of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-?
The molecular formula of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- is C14H16F3NOS.
What is the molecular weight of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-?
The molecular weight of 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- is 303.09 g/mol.
Where can I buy 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-?
You can request a quote for 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 1-(ethylthio)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.