3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
TL;DR: 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- (CAS 102145-82-4) is a chemical compound with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one
Also Known As: 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-, (Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one, 1,1,1-Trifluoro-4-methoxy-pent-3-en-2-one, 1,1,1-Trifluoro-4-methoxy-3-penten-2-one, J1.026.866D
| Molecular Formula | C6H7F3O2 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.668 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.03981 |
| Heavy Atoms | 11 |
| Complexity | 180.75664 |
Chemical Identifiers
| CAS Number | 102145-82-4 |
|---|---|
| SMILES | C/C(=C/C(=O)C(F)(F)F)/OC |
Product Overview
3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- (CAS 102145-82-4), with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol. IUPAC: (Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
Property Insights of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
The XLogP value of 1.668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- has 0 hydrogen bond donor(s) and 2 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-Penten-2-one, 1,1,1-trifluoro-4-methoxy-?
The CAS number of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- is 102145-82-4.
What is the molecular formula of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-?
The molecular formula of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- is C6H7F3O2.
What is the molecular weight of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-?
The molecular weight of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- is 168.04 g/mol.
Where can I buy 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-?
You can request a quote for 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.