![4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one structure](/static/products/898/898444-09-2.png)
4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
TL;DR: 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898444-09-2) is a chemical compound with molecular formula C14H13FN2OS and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Also Known As: 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one, F2683-0109, 4-[(3-fluorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one, 4-{[(3-fluorophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
| Molecular Formula | C14H13FN2OS |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.07327 |
| Heavy Atoms | 19 |
| Complexity | 668.7358 |
Chemical Identifiers
| CAS Number | 898444-09-2 |
|---|---|
| SMILES | C1CC2=C(C1)NC(=O)N=C2SCC3=CC(=CC=C3)F |
Product Overview
4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898444-09-2), with molecular formula C14H13FN2OS and molecular weight 276.07 g/mol. IUPAC: 4-[(3-fluorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
Property Insights of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 4-((3-fluorobenzyl)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-fluorobenzyl)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-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The CAS number of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 898444-09-2.
What is the molecular formula of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular formula of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is C14H13FN2OS.
What is the molecular weight of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular weight of 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 276.07 g/mol.
Where can I buy 4-((3-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
You can request a quote for 4-((3-fluorobenzyl)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-fluorobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-fluorobenzyl)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.