3-Butenal,2,2-difluoro-3-methyl
TL;DR: 3-Butenal,2,2-difluoro-3-methyl (CAS 104416-62-8) is a chemical compound with molecular formula C24H29FN4O and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one
Also Known As: 3-Butenal,2,2-difluoro-3-methyl, 3H-Pyrazol-3-one, 1,2-dihydro-5-ethyl-2-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-1-phenyl-, 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one, 5-Ethyl-1-phenyl-2-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)pyrazolin-3-one, 1,2-Dihydro-5-ethyl-2-(3-(4-(4-fluorophenyl)-1-piperazinyl)propyl)-1-phenyl-3H-pyrazol-3-one
| Molecular Formula | C24H29FN4O |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 3.5528 |
| Topological Polar Surface Area | 33.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.23254 |
| Heavy Atoms | 30 |
| Complexity | 1001.93524 |
Chemical Identifiers
| CAS Number | 104416-62-8 |
|---|---|
| SMILES | CCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
3-Butenal,2,2-difluoro-3-methyl (CAS 104416-62-8), with molecular formula C24H29FN4O and molecular weight 408.23 g/mol. IUPAC: 5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one.
Chemical Property Profile of 3-Butenal,2,2-difluoro-3-methyl
Property Insights of 3-Butenal,2,2-difluoro-3-methyl
The XLogP value of 3.5528 indicates that 3-Butenal,2,2-difluoro-3-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.41 Ų, 3-Butenal,2,2-difluoro-3-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenal,2,2-difluoro-3-methyl has 0 hydrogen bond donor(s) and 3 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-Butenal,2,2-difluoro-3-methyl?
The CAS number of 3-Butenal,2,2-difluoro-3-methyl is 104416-62-8.
What is the molecular formula of 3-Butenal,2,2-difluoro-3-methyl?
The molecular formula of 3-Butenal,2,2-difluoro-3-methyl is C24H29FN4O.
What is the molecular weight of 3-Butenal,2,2-difluoro-3-methyl?
The molecular weight of 3-Butenal,2,2-difluoro-3-methyl is 408.23 g/mol.
Where can I buy 3-Butenal,2,2-difluoro-3-methyl?
You can request a quote for 3-Butenal,2,2-difluoro-3-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenal,2,2-difluoro-3-methyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenal,2,2-difluoro-3-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.