![[(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate structure](/static/products/848/848311-45-5.png)
[(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
TL;DR: [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate (CAS 848311-45-5) is a chemical compound with molecular formula C19H24N6O5 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Also Known As: [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate|[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate|MLS002163842|SMR001246224|EN300-26681409
| Molecular Formula | C19H24N6O5 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | -0.33822 |
| Topological Polar Surface Area | 132.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.18082 |
| Heavy Atoms | 30 |
| Complexity | 1145.0874 |
Chemical Identifiers
| CAS Number | 848311-45-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)N(C)C3(CCCCC3)C#N |
Product Overview
[(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate (CAS 848311-45-5), with molecular formula C19H24N6O5 and molecular weight 416.18 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
Property Insights of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
The XLogP value of -0.33822 indicates that [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate has 0 hydrogen bond donor(s) and 7 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-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate?
The CAS number of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate is 848311-45-5.
What is the molecular formula of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate?
The molecular formula of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate is C19H24N6O5.
What is the molecular weight of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate?
The molecular weight of [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate is 416.18 g/mol.
Where can I buy [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate?
You can request a quote for [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)-methyl-carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.