amino]-2,4(1H,3H)-pyrimidinedione structure](/static/products/3383/338399-63-6.webp)
5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione (CAS 338399-63-6) is a chemical compound with molecular formula C16H14ClF3N4O3 and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-prop-2-enylpyrimidine-2,4-dione
Also Known As: 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione, 5-acetyl-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-prop-2-enylpyrimidine-2,4-dione, 5-acetyl-1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C16H14ClF3N4O3 |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.3653 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.07065 |
| Heavy Atoms | 27 |
| Complexity | 1027.0364 |
Chemical Identifiers
| CAS Number | 338399-63-6 |
|---|---|
| SMILES | CC(=O)C1=CN(C(=O)N(C1=O)CC=C)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione (CAS 338399-63-6), with molecular formula C16H14ClF3N4O3 and molecular weight 402.07 g/mol. IUPAC: 5-acetyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione
The XLogP value of 2.3653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione 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 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione is 338399-63-6.
What is the molecular formula of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione is C16H14ClF3N4O3.
What is the molecular weight of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione is 402.07 g/mol.
Where can I buy 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-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 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-3-allyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.