![4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one structure](/static/products/898/898444-17-2.png)
4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
TL;DR: 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898444-17-2) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Also Known As: F2683-0120, 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one, 4-[(2,5-dimethylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
| Molecular Formula | C16H18N2OS |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 3.16774 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11398 |
| Heavy Atoms | 20 |
| Complexity | 706.10846 |
Chemical Identifiers
| CAS Number | 898444-17-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC(=O)NC3=C2CCC3 |
Product Overview
4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898444-17-2), with molecular formula C16H18N2OS and molecular weight 286.11 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
Property Insights of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
The XLogP value of 3.16774 indicates that 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one 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 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The CAS number of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 898444-17-2.
What is the molecular formula of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular formula of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is C16H18N2OS.
What is the molecular weight of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular weight of 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 286.11 g/mol.
Where can I buy 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
You can request a quote for 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-dimethylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.