![1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one structure](/static/products/879/879568-40-8.png)
1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
TL;DR: 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879568-40-8) is a chemical compound with molecular formula C17H19ClN4OS and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(4-chlorophenyl)-6-cyclopentyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(4-CHLOROPHENYL)-6-CYCLOPENTYL-2-SULFANYLIDENE-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-ONE, 1-(4-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 5-(4-chlorophenyl)-9-cyclopentyl-4-sulfanylidene-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-en-2-one
| Molecular Formula | C17H19ClN4OS |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 3.67609 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0968 |
| Heavy Atoms | 24 |
| Complexity | 867.6398 |
Chemical Identifiers
| CAS Number | 879568-40-8 |
|---|---|
| SMILES | C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879568-40-8), with molecular formula C17H19ClN4OS and molecular weight 362.10 g/mol. IUPAC: 1-(4-chlorophenyl)-6-cyclopentyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Property Insights of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
The XLogP value of 3.67609 indicates that 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one has 2 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 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The CAS number of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 879568-40-8.
What is the molecular formula of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular formula of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is C17H19ClN4OS.
What is the molecular weight of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular weight of 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 362.10 g/mol.
Where can I buy 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
You can request a quote for 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-6-cyclopentyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.