1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 865546-32-3) is a chemical compound with molecular formula C16H11FN2O2S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(4-fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(4-fluorophenyl)-3-phenylthiobarbituric acid, 1-(4-fluorophenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, F1386-0091
| Molecular Formula | C16H11FN2O2S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.8805 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.05252 |
| Heavy Atoms | 22 |
| Complexity | 746.5009 |
Chemical Identifiers
| CAS Number | 865546-32-3 |
|---|---|
| SMILES | C1C(=O)N(C(=S)N(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 |
Product Overview
1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 865546-32-3), with molecular formula C16H11FN2O2S and molecular weight 314.05 g/mol. IUPAC: 1-(4-fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.8805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 0 hydrogen bond donor(s) and 3 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-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 865546-32-3.
What is the molecular formula of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C16H11FN2O2S.
What is the molecular weight of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 314.05 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.