![5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione structure](/static/products/3383/338399-60-3.webp)
5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione (CAS 338399-60-3) is a chemical compound with molecular formula C27H19Cl2F4N5O3 and molecular weight 607.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-chloroanilino)prop-2-enoyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione, 5-[3-(4-chloroanilino)prop-2-enoyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
| Molecular Formula | C27H19Cl2F4N5O3 |
|---|---|
| Molecular Weight | 607.08 g/mol |
| LogP | 5.626 |
| Topological Polar Surface Area | 89.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 607.0801 |
| Heavy Atoms | 41 |
| Complexity | 1734.791 |
Chemical Identifiers
| CAS Number | 338399-60-3 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C(=O)C=CNC4=CC=C(C=C4)Cl |
Product Overview
5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione (CAS 338399-60-3), with molecular formula C27H19Cl2F4N5O3 and molecular weight 607.08 g/mol. IUPAC: 5-[3-(4-chloroanilino)prop-2-enoyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 5.626 indicates that 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione has 1 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 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione is 338399-60-3.
What is the molecular formula of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione is C27H19Cl2F4N5O3.
What is the molecular weight of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione is 607.08 g/mol.
Where can I buy 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-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-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(4-chloroanilino)acryloyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.