(E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
TL;DR: (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one (CAS 119644-57-4) is a chemical compound with molecular formula C14H17F2NO and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
Also Known As: (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one, 1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one, 1-(3,4-Difluorophenyl)-4-methyl-5-(dimethylamino)-1-penten-3-one, 1-(3,4-difluorophenyl)-5-dimethylamino-4-methyl-pent-1-en-3-one
| Molecular Formula | C14H17F2NO |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 2.7448 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.12782 |
| Heavy Atoms | 18 |
| Complexity | 455.10727 |
Chemical Identifiers
| CAS Number | 119644-57-4 |
|---|---|
| SMILES | CC(CN(C)C)C(=O)/C=C/C1=CC(=C(C=C1)F)F |
Product Overview
(E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one (CAS 119644-57-4), with molecular formula C14H17F2NO and molecular weight 253.13 g/mol. IUPAC: (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one.
Chemical Property Profile of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
Property Insights of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
The XLogP value of 2.7448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one. With a topological polar surface area (TPSA) of 20.31 Ų, (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one 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 (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The CAS number of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one is 119644-57-4.
What is the molecular formula of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The molecular formula of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one is C14H17F2NO.
What is the molecular weight of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
The molecular weight of (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one is 253.13 g/mol.
Where can I buy (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
You can request a quote for (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-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 (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3,4-difluorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.