Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-
TL;DR: Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- (CAS 125802-53-1) is a chemical compound with molecular formula C19H13ClN6 and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(9-benzyl-2-chloropurin-6-yl)amino]benzonitrile
Also Known As: 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzonitrile, Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, 4-[(9-Benzyl-2-chloro-9H-purin-6-yl)amino]benzonitrile, 4-[(9-benzyl-2-chloro-purin-6-yl)amino]benzonitrile, 9-Benzyl-2-chloro-6-(4-cyanophenylamino)-9H-purine
| Molecular Formula | C19H13ClN6 |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 4.14328 |
| Topological Polar Surface Area | 79.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.08902 |
| Heavy Atoms | 26 |
| Complexity | 1096.7898 |
Chemical Identifiers
| CAS Number | 125802-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC=C(C=C4)C#N |
Product Overview
Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- (CAS 125802-53-1), with molecular formula C19H13ClN6 and molecular weight 360.09 g/mol. IUPAC: 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-
Property Insights of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-
The XLogP value of 4.14328 indicates that Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-. Following Lipinski's Rule of Five, Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- 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 Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-?
The CAS number of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- is 125802-53-1.
What is the molecular formula of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-?
The molecular formula of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- is C19H13ClN6.
What is the molecular weight of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-?
The molecular weight of Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- is 360.09 g/mol.
Where can I buy Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-?
You can request a quote for Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-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, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.