![1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione structure](/static/products/5984/5984-11-2.webp)
1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5984-11-2) is a chemical compound with molecular formula C22H19FN2O4S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H19FN2O4S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 3.226 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.10495 |
| Heavy Atoms | 30 |
| Complexity | 1033.9331 |
Chemical Identifiers
| CAS Number | 5984-11-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=C(C=C3)F |
Product Overview
1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5984-11-2), with molecular formula C22H19FN2O4S and molecular weight 426.10 g/mol. IUPAC: (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 3.226 indicates that 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-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-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 5984-11-2.
What is the molecular formula of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C22H19FN2O4S.
What is the molecular weight of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 426.10 g/mol.
Where can I buy 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.