![1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione structure](/static/products/3387/338770-12-0.webp)
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione (CAS 338770-12-0) is a chemical compound with molecular formula C18H19ClF3N5O3 and molecular weight 445.11 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]-5-[3-(dimethylamino)prop-2-enoyl]-3-methylpyrimidine-2,4-dione
Also Known As: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione, 1-(2-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO}ETHYL)-5-[3-(DIMETHYLAMINO)PROP-2-ENOYL]-3-METHYLPYRIMIDINE-2,4-DIONE, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[3-(dimethylamino)prop-2-enoyl]-3-methylpyrimidine-2,4-dione
| Molecular Formula | C18H19ClF3N5O3 |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 1.9843 |
| Topological Polar Surface Area | 89.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.11285 |
| Heavy Atoms | 30 |
| Complexity | 1089.9404 |
Chemical Identifiers
| CAS Number | 338770-12-0 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C=CN(C)C |
Product Overview
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione (CAS 338770-12-0), with molecular formula C18H19ClF3N5O3 and molecular weight 445.11 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-[3-(dimethylamino)prop-2-enoyl]-3-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.9843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione. The TPSA of 89.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 6 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 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione is 338770-12-0.
What is the molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione is C18H19ClF3N5O3.
What is the molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione is 445.11 g/mol.
Where can I buy 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-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)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[3-(dimethylamino)acryloyl]-3-methyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.