4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
TL;DR: 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- (CAS 64249-76-9) is a chemical compound with molecular formula C6H6F4OS and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2-tetrafluoro-5-sulfanylhex-4-en-3-one
Also Known As: 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-, 1,1,2,2-TETRAFLUORO-5-SULFANYLHEX-4-EN-3-ONE, 4-Hexen-3-one,1,1,2,2-tetrafluoro-5-mercapto
| Molecular Formula | C6H6F4OS |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.00755 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 64249-76-9 |
|---|---|
| SMILES | CC(=CC(=O)C(C(F)F)(F)F)S |
| InChIKey | JOMAVZMNUWTMSS-UHFFFAOYSA-N |
Product Overview
4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- (CAS 64249-76-9), with molecular formula C6H6F4OS and molecular weight 202.01 g/mol. IUPAC: 1,1,2,2-tetrafluoro-5-sulfanylhex-4-en-3-one.
Chemical Property Profile of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
Property Insights of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-. With a topological polar surface area (TPSA) of 18.1 Ų, 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- 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 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-?
The CAS number of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- is 64249-76-9.
What is the molecular formula of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-?
The molecular formula of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- is C6H6F4OS.
What is the molecular weight of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-?
The molecular weight of 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- is 202.01 g/mol.
Where can I buy 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-?
You can request a quote for 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.