2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine
TL;DR: 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine (CAS 5444-72-4) is a chemical compound with molecular formula C19H16ClN5 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-phenyl-N-(2-phenylethyl)purin-6-amine
Also Known As: NCIStruc1_001009, NCIStruc2_001115, NCI60_001608, 2-chloro-N-phenethyl-9-phenylpurin-6-amine, 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine
| Molecular Formula | C19H16ClN5 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.10944 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 5444-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=C3C(=NC(=N2)Cl)N(C=N3)C4=CC=CC=C4 |
| InChIKey | PQLMHGORCZEQRE-UHFFFAOYSA-N |
Product Overview
2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine (CAS 5444-72-4), with molecular formula C19H16ClN5 and molecular weight 349.11 g/mol. IUPAC: 2-chloro-9-phenyl-N-(2-phenylethyl)purin-6-amine.
Chemical Property Profile of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine
Property Insights of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine
The XLogP value of 4.9 indicates that 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine has 1 hydrogen bond donor(s) and 4 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-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine?
The CAS number of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine is 5444-72-4.
What is the molecular formula of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine?
The molecular formula of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine is C19H16ClN5.
What is the molecular weight of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine?
The molecular weight of 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine is 349.11 g/mol.
Where can I buy 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine?
You can request a quote for 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-9-phenyl-N-(2-phenylethyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.