![4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one structure](/static/products/886/886948-91-0.png)
4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
TL;DR: 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 886948-91-0) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Also Known As: AB00681052-01, F2683-0103, 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one, 4-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one, 4-[(3-methylbenzyl)sulfanyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.85932 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 663.4354 |
Chemical Identifiers
| CAS Number | 886948-91-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC(=O)NC3=C2CCC3 |
Product Overview
4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 886948-91-0), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: 4-[(3-methylphenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
Property Insights of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
The XLogP value of 2.85932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 4-((3-methylbenzyl)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-((3-methylbenzyl)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-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The CAS number of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 886948-91-0.
What is the molecular formula of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular formula of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is C15H16N2OS.
What is the molecular weight of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular weight of 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 272.10 g/mol.
Where can I buy 4-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
You can request a quote for 4-((3-methylbenzyl)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-((3-methylbenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-methylbenzyl)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.