![1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione structure](/static/products/3387/338770-35-7.webp)
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione (CAS 338770-35-7) is a chemical compound with molecular formula C23H18ClF6N5O3 and molecular weight 561.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-methyl-5-[3-[4-(trifluoromethyl)anilino]prop-2-enoyl]pyrimidine-2,4-dione
Also Known As: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-methyl-5-[3-[4-(trifluoromethyl)anilino]prop-2-enoyl]pyrimidine-2,4-dione
| Molecular Formula | C23H18ClF6N5O3 |
|---|---|
| Molecular Weight | 561.10 g/mol |
| LogP | 4.5536 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.1002 |
| Heavy Atoms | 38 |
| Complexity | 1477.3197 |
Chemical Identifiers
| CAS Number | 338770-35-7 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C=CNC3=CC=C(C=C3)C(F)(F)F |
Product Overview
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione (CAS 338770-35-7), with molecular formula C23H18ClF6N5O3 and molecular weight 561.10 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-methyl-5-[3-[4-(trifluoromethyl)anilino]prop-2-enoyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione
The XLogP value of 4.5536 indicates that 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione is 338770-35-7.
What is the molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione is C23H18ClF6N5O3.
What is the molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione is 561.10 g/mol.
Where can I buy 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-methyl-5-{3-[4-(trifluoromethyl)anilino]acryloyl}-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.