![1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione structure](/static/products/3383/338399-45-4.webp)
1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
TL;DR: 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CAS 338399-45-4) is a chemical compound with molecular formula C23H20ClF4N5O3 and molecular weight 525.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-[3-(dimethylamino)acryloyl]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C23H20ClF4N5O3 |
|---|---|
| Molecular Weight | 525.12 g/mol |
| LogP | 3.4221 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.1191 |
| Heavy Atoms | 36 |
| Complexity | 1429.6324 |
Chemical Identifiers
| CAS Number | 338399-45-4 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)F)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CAS 338399-45-4), with molecular formula C23H20ClF4N5O3 and molecular weight 525.12 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Property Insights of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
The XLogP value of 3.4221 indicates that 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has 0 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-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The CAS number of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is 338399-45-4.
What is the molecular formula of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The molecular formula of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is C23H20ClF4N5O3.
What is the molecular weight of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The molecular weight of 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is 525.12 g/mol.
Where can I buy 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
You can request a quote for 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-[3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.