![4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one structure](/static/products/898/898450-18-5.png)
4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
TL;DR: 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898450-18-5) is a chemical compound with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
Also Known As: F2683-0099, 7-[(p-nitrophenyl)methylthio]-4,6-diaza-5-indanone, 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one, 4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one, 4-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
| Molecular Formula | C14H13N3O3S |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.4591 |
| Topological Polar Surface Area | 88.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.06775 |
| Heavy Atoms | 21 |
| Complexity | 740.1197 |
Chemical Identifiers
| CAS Number | 898450-18-5 |
|---|---|
| SMILES | C1CC2=C(C1)NC(=O)N=C2SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 898450-18-5), with molecular formula C14H13N3O3S and molecular weight 303.07 g/mol. IUPAC: 4-[(4-nitrophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
Chemical Property Profile of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
Property Insights of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
The XLogP value of 2.4591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one. The TPSA of 88.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one. Following Lipinski's Rule of Five, 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one has 1 hydrogen bond donor(s) and 5 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-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The CAS number of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 898450-18-5.
What is the molecular formula of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular formula of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is C14H13N3O3S.
What is the molecular weight of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
The molecular weight of 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one is 303.07 g/mol.
Where can I buy 4-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
You can request a quote for 4-((4-nitrobenzyl)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-((4-nitrobenzyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-nitrobenzyl)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.