![1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione structure](/static/products/3383/338399-43-2.webp)
1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione (CAS 338399-43-2) is a chemical compound with molecular formula C28H24FN3O4 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(4-fluorophenyl)methyl]-5-[3-(4-methoxyanilino)prop-2-enoyl]pyrimidine-2,4-dione
Also Known As: 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione, 1-benzyl-3-[(4-fluorophenyl)methyl]-5-[3-(4-methoxyanilino)prop-2-enoyl]pyrimidine-2,4-dione, 1-benzyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methoxyphenyl)amino]prop-2-enoyl]pyrimidine-2,4-dione
| Molecular Formula | C28H24FN3O4 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 4.0628 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.17508 |
| Heavy Atoms | 36 |
| Complexity | 1489.5588 |
Chemical Identifiers
| CAS Number | 338399-43-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=CC(=O)C2=CN(C(=O)N(C2=O)CC3=CC=C(C=C3)F)CC4=CC=CC=C4 |
Product Overview
1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione (CAS 338399-43-2), with molecular formula C28H24FN3O4 and molecular weight 485.18 g/mol. IUPAC: 1-benzyl-3-[(4-fluorophenyl)methyl]-5-[3-(4-methoxyanilino)prop-2-enoyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione
The XLogP value of 4.0628 indicates that 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione has 1 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 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione is 338399-43-2.
What is the molecular formula of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione is C28H24FN3O4.
What is the molecular weight of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione is 485.18 g/mol.
Where can I buy 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)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-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(4-fluorobenzyl)-5-[3-(4-methoxyanilino)acryloyl]-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.