![ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate structure](/static/products/3391/339106-48-8.webp)
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate
TL;DR: ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate (CAS 339106-48-8) is a chemical compound with molecular formula C14H14ClF3N2O3 and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxobut-3-enoate
Also Known As: ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate, ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(dimethylamino)-2-oxobut-3-enoate, Ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-dimethylamino-2-oxo-but-3-enoate
| Molecular Formula | C14H14ClF3N2O3 |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.7885 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0645 |
| Heavy Atoms | 23 |
| Complexity | 642.64496 |
Chemical Identifiers
| CAS Number | 339106-48-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CN(C)C)C1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate (CAS 339106-48-8), with molecular formula C14H14ClF3N2O3 and molecular weight 350.06 g/mol. IUPAC: ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxobut-3-enoate.
Chemical Property Profile of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate
Property Insights of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate
The XLogP value of 2.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate. With a topological polar surface area (TPSA) of 59.5 Ų, ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate 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 ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate?
The CAS number of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate is 339106-48-8.
What is the molecular formula of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate?
The molecular formula of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate is C14H14ClF3N2O3.
What is the molecular weight of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate?
The molecular weight of ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate is 350.06 g/mol.
Where can I buy ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate?
You can request a quote for ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(dimethylamino)-2-oxo-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.