1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one
TL;DR: 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one (CAS 64249-78-1) is a chemical compound with molecular formula C9H12F4OS and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2-tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one
Also Known As: 1,1,2,2-tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one, 4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-6,6-dimethyl-
| Molecular Formula | C9H12F4OS |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0545 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 64249-78-1 |
|---|---|
| SMILES | CC(C)(C)C(=CC(=O)C(C(F)F)(F)F)S |
| InChIKey | PIVMKXHEJJWTBR-UHFFFAOYSA-N |
Product Overview
1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one (CAS 64249-78-1), with molecular formula C9H12F4OS and molecular weight 244.05 g/mol. IUPAC: 1,1,2,2-tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one.
Chemical Property Profile of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one
Property Insights of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one
The XLogP value of 3.5 indicates that 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one 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 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one?
The CAS number of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one is 64249-78-1.
What is the molecular formula of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one?
The molecular formula of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one is C9H12F4OS.
What is the molecular weight of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one?
The molecular weight of 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one is 244.05 g/mol.
Where can I buy 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one?
You can request a quote for 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2-Tetrafluoro-6,6-dimethyl-5-sulfanylhept-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.