![3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid structure](/static/products/7916/79168-77-7.webp)
3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid
TL;DR: 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid (CAS 79168-77-7) is a chemical compound with molecular formula C13H13F4NO2 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(diethylamino)-2,3,5,6-tetrafluorophenyl]prop-2-enoic acid
Also Known As: BAS 00109162, 3-[4-(diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid, (E)-3-(4-(diethylamino)-2,3,5,6-tetrafluorophenyl)acrylic acid, 3-(4-Diethylamino-2,3,5,6-tetrafluoro-phenyl)-acrylic acid, (2E)-3-[4-(diethylamino)-2,3,5,6-tetrafluorophenyl]prop-2-enoic acid
| Molecular Formula | C13H13F4NO2 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.187 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.08823 |
| Heavy Atoms | 20 |
| Complexity | 524.78754 |
Chemical Identifiers
| CAS Number | 79168-77-7 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=C(C(=C1F)F)/C=C/C(=O)O)F)F |
Product Overview
3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid (CAS 79168-77-7), with molecular formula C13H13F4NO2 and molecular weight 291.09 g/mol. IUPAC: (E)-3-[4-(diethylamino)-2,3,5,6-tetrafluorophenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid
Property Insights of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid
The XLogP value of 3.187 indicates that 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid has 1 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-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid?
The CAS number of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid is 79168-77-7.
What is the molecular formula of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid?
The molecular formula of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid is C13H13F4NO2.
What is the molecular weight of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid?
The molecular weight of 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid is 291.09 g/mol.
Where can I buy 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid?
You can request a quote for 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Diethylamino)-2,3,5,6-tetrafluorophenyl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.