![(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/5972/5972-00-9.webp)
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 5972-00-9) is a chemical compound with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-allyl-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-({4-[(2-FLUOROPHENYL)METHOXY]PHENYL}METHYLIDENE)-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C21H17FN2O3S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 3.2174 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0944 |
| Heavy Atoms | 28 |
| Complexity | 969.8709 |
Chemical Identifiers
| CAS Number | 5972-00-9 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3F)/C(=O)NC1=S |
Product Overview
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 5972-00-9), with molecular formula C21H17FN2O3S and molecular weight 396.09 g/mol. IUPAC: (5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.2174 indicates that (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 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 (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 5972-00-9.
What is the molecular formula of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H17FN2O3S.
What is the molecular weight of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 396.09 g/mol.
Where can I buy (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.