1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 852399-67-8) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(2,6-diethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 984-969-3, RefChem:420641
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 1.9492 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 512.127 |
Chemical Identifiers
| CAS Number | 852399-67-8 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N2C(=O)CC(=O)NC2=S |
Product Overview
1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 852399-67-8), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.9492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(2,6-Diethylphenyl)-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-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 852399-67-8.
What is the molecular formula of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H16N2O2S.
What is the molecular weight of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 276.09 g/mol.
Where can I buy 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-(2,6-Diethylphenyl)-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-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.