2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide
TL;DR: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide (CAS 1090980-00-9) is a chemical compound with molecular formula C16H19ClN6O3 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide
Also Known As: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide, 2-(8-chloro-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(1-cyanocyclohexyl)acetamide
| Molecular Formula | C16H19ClN6O3 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 0.42978 |
| Topological Polar Surface Area | 114.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12073 |
| Heavy Atoms | 26 |
| Complexity | 1035.3933 |
Chemical Identifiers
| CAS Number | 1090980-00-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3(CCCCC3)C#N |
Product Overview
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide (CAS 1090980-00-9), with molecular formula C16H19ClN6O3 and molecular weight 378.12 g/mol. IUPAC: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide.
Chemical Property Profile of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide
Property Insights of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide
The XLogP value of 0.42978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide. The TPSA of 114.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide. Following Lipinski's Rule of Five, 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide 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 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide?
The CAS number of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide is 1090980-00-9.
What is the molecular formula of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide?
The molecular formula of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide is C16H19ClN6O3.
What is the molecular weight of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide?
The molecular weight of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide is 378.12 g/mol.
Where can I buy 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide?
You can request a quote for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.