3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one
TL;DR: 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one (CAS 5540-77-2) is a chemical compound with molecular formula C10H16N2OS and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 4-chloro-2-methyl-6-propylpyrimidine, 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one, 3-cyclohexyl-2-thioxo-hexahydropyrimidin-4-one, 4(1H)-Pyrimidinone, 3-cyclohexyltetrahydro-2-thioxo-
| Molecular Formula | C10H16N2OS |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.4259 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.09833 |
| Heavy Atoms | 14 |
| Complexity | 232.50655 |
Chemical Identifiers
| CAS Number | 5540-77-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)CCNC2=S |
Product Overview
3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one (CAS 5540-77-2), with molecular formula C10H16N2OS and molecular weight 212.10 g/mol. IUPAC: 3-cyclohexyl-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one
Property Insights of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one
The XLogP value of 1.4259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one has 1 hydrogen bond donor(s) and 2 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 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one?
The CAS number of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one is 5540-77-2.
What is the molecular formula of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one?
The molecular formula of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one is C10H16N2OS.
What is the molecular weight of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one?
The molecular weight of 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one is 212.10 g/mol.
Where can I buy 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one?
You can request a quote for 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexyl-2-thioxo-hexahydropyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.