(5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 347394-96-1) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-ethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(2-ethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2-ethoxyphenyl)methylene]-1-prop-2-enyl-2-thioxo-1,3-dihydropyrimidine-4,6 -dione
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 1.898 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 667.1097 |
Chemical Identifiers
| CAS Number | 347394-96-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)CC=C |
Product Overview
(5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 347394-96-1), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: (5Z)-5-[(2-ethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 58.64 Ų, (5Z)-5-(2-ethoxybenzylidene)-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-(2-ethoxybenzylidene)-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-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 347394-96-1.
What is the molecular formula of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C16H16N2O3S.
What is the molecular weight of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 316.09 g/mol.
Where can I buy (5Z)-5-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-(2-ethoxybenzylidene)-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-(2-ethoxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(2-ethoxybenzylidene)-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.