Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-
TL;DR: Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- (CAS 1229665-91-1) is a chemical compound with molecular formula C20H23N7O and molecular weight 377.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile
Also Known As: Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-, 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile, 3-[9-Ethyl-2-(4-hydroxy-cyclohexylamino)-9H-purin-6-ylamino]-benzonitrile
| Molecular Formula | C20H23N7O |
|---|---|
| Molecular Weight | 377.20 g/mol |
| LogP | 3.17688 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1964 |
| Heavy Atoms | 28 |
| Complexity | 1015.0564 |
Chemical Identifiers
| CAS Number | 1229665-91-1 |
|---|---|
| SMILES | CCN1C=NC2=C(N=C(N=C21)NC3CCC(CC3)O)NC4=CC=CC(=C4)C#N |
Product Overview
Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- (CAS 1229665-91-1), with molecular formula C20H23N7O and molecular weight 377.20 g/mol. IUPAC: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile.
Chemical Property Profile of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-
Property Insights of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-
The XLogP value of 3.17688 indicates that Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-. Following Lipinski's Rule of Five, Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- has 3 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 Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-?
The CAS number of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- is 1229665-91-1.
What is the molecular formula of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-?
The molecular formula of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- is C20H23N7O.
What is the molecular weight of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-?
The molecular weight of Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- is 377.20 g/mol.
Where can I buy Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-?
You can request a quote for Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-((9-ethyl-2-((trans-4-hydroxycyclohexyl)amino)-9H-purin-6-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.