![6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one structure](/static/products/879/879461-63-9.png)
6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
TL;DR: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879461-63-9) is a chemical compound with molecular formula C18H23N5OS and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 9-cyclohexyl-5-(pyridin-3-ylmethyl)-4-sulfanylidene-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-en-2-one
| Molecular Formula | C18H23N5OS |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 2.86689 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.16232 |
| Heavy Atoms | 25 |
| Complexity | 854.00555 |
Chemical Identifiers
| CAS Number | 879461-63-9 |
|---|---|
| SMILES | C1CCC(CC1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4 |
Product Overview
6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879461-63-9), with molecular formula C18H23N5OS and molecular weight 357.16 g/mol. IUPAC: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Property Insights of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
The XLogP value of 2.86689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one. The TPSA of 65.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-cyclohexyl-1-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The CAS number of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 879461-63-9.
What is the molecular formula of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular formula of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is C18H23N5OS.
What is the molecular weight of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular weight of 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 357.16 g/mol.
Where can I buy 6-cyclohexyl-1-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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.