![4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one structure](/static/products/898/898443-99-7.png)
4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
TL;DR: 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CAS 898443-99-7) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Also Known As: AB00681049-01, F2683-0084, 4-[(2-oxo-2-phenylethyl)sulfanyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one, 4-phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one, 4-((2-oxo-2-phenylethyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.2336 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 694.76483 |
Chemical Identifiers
| CAS Number | 898443-99-7 |
|---|---|
| SMILES | C1CC2=C(C1)NC(=O)N=C2SCC(=O)C3=CC=CC=C3 |
Product Overview
4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CAS 898443-99-7), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: 4-phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Property Insights of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
The XLogP value of 2.2336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one. Following Lipinski's Rule of Five, 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one 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 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The CAS number of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is 898443-99-7.
What is the molecular formula of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The molecular formula of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is C15H14N2O2S.
What is the molecular weight of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The molecular weight of 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is 286.08 g/mol.
Where can I buy 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
You can request a quote for 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenacylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.