![6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one structure](/static/products/879/879476-80-9.png)
6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
TL;DR: 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879476-80-9) is a chemical compound with molecular formula C20H26N4O2S and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexyl-1-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclohexyl-1-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclohexyl-1-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
| Molecular Formula | C20H26N4O2S |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 3.48049 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.17764 |
| Heavy Atoms | 27 |
| Complexity | 913.05945 |
Chemical Identifiers
| CAS Number | 879476-80-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C3=C(CN(CN3)C4CCCCC4)C(=O)NC2=S |
Product Overview
6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879476-80-9), with molecular formula C20H26N4O2S and molecular weight 386.18 g/mol. IUPAC: 6-cyclohexyl-1-[(4-methoxyphenyl)methyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Property Insights of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
The XLogP value of 3.48049 indicates that 6-cyclohexyl-1-(4-methoxybenzyl)-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. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one has 2 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 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The CAS number of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 879476-80-9.
What is the molecular formula of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular formula of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is C20H26N4O2S.
What is the molecular weight of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular weight of 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 386.18 g/mol.
Where can I buy 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
You can request a quote for 6-cyclohexyl-1-(4-methoxybenzyl)-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 6-cyclohexyl-1-(4-methoxybenzyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-cyclohexyl-1-(4-methoxybenzyl)-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.