![(E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one structure](/static/products/5519/551930-72-4.webp)
(E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one
TL;DR: (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one (CAS 551930-72-4) is a chemical compound with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
Also Known As: (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one, 1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
| Molecular Formula | C14H11ClF3N3O2 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 3.6668 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0492 |
| Heavy Atoms | 23 |
| Complexity | 753.966 |
Chemical Identifiers
| CAS Number | 551930-72-4 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC(=NO1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
(E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one (CAS 551930-72-4), with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol. IUPAC: 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one
Property Insights of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one
The XLogP value of 3.6668 indicates that (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one has 0 hydrogen bond donor(s) and 5 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one?
The CAS number of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one is 551930-72-4.
What is the molecular formula of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one?
The molecular formula of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one is C14H11ClF3N3O2.
What is the molecular weight of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one?
The molecular weight of (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one is 345.05 g/mol.
Where can I buy (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one?
You can request a quote for (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-{3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.