5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione (CAS 79835-72-6) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Athyl-cyclohexenyl-thiobarbitursaure, 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione, 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, pyrimidine-4,6(1H,5H)-dione, 5-cyclohex-1-enyl-5-ethyl-2,3-dihydro-2-thioxo-
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.4141 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 394.7287 |
Chemical Identifiers
| CAS Number | 79835-72-6 |
|---|---|
| SMILES | CCC1(C(=O)NC(=S)NC1=O)C2=CCCCC2 |
Product Overview
5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione (CAS 79835-72-6), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: 5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.4141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione has 2 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 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione is 79835-72-6.
What is the molecular formula of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione is C12H16N2O2S.
What is the molecular weight of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione is 252.09 g/mol.
Where can I buy 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-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 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.