(E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 6238-05-7) is a chemical compound with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[4-(dimethylamino)benzylidene]-1-(2-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-[(4-dimethylaminophenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[4-(dimethylamino)benzylidene]-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H16FN3O2S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.723 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.09473 |
| Heavy Atoms | 26 |
| Complexity | 922.6364 |
Chemical Identifiers
| CAS Number | 6238-05-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F |
Product Overview
(E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 6238-05-7), with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol. IUPAC: (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 52.65 Ų, (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-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 (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 6238-05-7.
What is the molecular formula of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C19H16FN3O2S.
What is the molecular weight of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 369.09 g/mol.
Where can I buy (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-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 (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(dimethylamino)benzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.