9-Benzyl-6-chloro-2-phenylpurine
TL;DR: 9-Benzyl-6-chloro-2-phenylpurine (CAS 176515-40-5) is a chemical compound with molecular formula C18H13ClN4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-chloro-2-phenylpurine
Also Known As: 9-benzyl-6-chloro-2-phenylpurine, 9-Benzyl-6-chloro-2-phenyl-9H-purine, 9-benzyl-6-chloro-2-phenyl-purine, 2-Phenyl-6-chloro-9-benzyl-9H-purine, 6-Chloro-2-phenyl-9-benzyl-9H-purine
| Molecular Formula | C18H13ClN4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0829 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 176515-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C4=CC=CC=C4 |
| InChIKey | ABGRSMRFORNOOE-UHFFFAOYSA-N |
Product Overview
9-Benzyl-6-chloro-2-phenylpurine (CAS 176515-40-5), with molecular formula C18H13ClN4 and molecular weight 320.08 g/mol. IUPAC: 9-benzyl-6-chloro-2-phenylpurine.
Chemical Property Profile of 9-Benzyl-6-chloro-2-phenylpurine
Property Insights of 9-Benzyl-6-chloro-2-phenylpurine
The XLogP value of 4.3 indicates that 9-Benzyl-6-chloro-2-phenylpurine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 9-Benzyl-6-chloro-2-phenylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-6-chloro-2-phenylpurine has 0 hydrogen bond donor(s) and 3 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 9-Benzyl-6-chloro-2-phenylpurine?
The CAS number of 9-Benzyl-6-chloro-2-phenylpurine is 176515-40-5.
What is the molecular formula of 9-Benzyl-6-chloro-2-phenylpurine?
The molecular formula of 9-Benzyl-6-chloro-2-phenylpurine is C18H13ClN4.
What is the molecular weight of 9-Benzyl-6-chloro-2-phenylpurine?
The molecular weight of 9-Benzyl-6-chloro-2-phenylpurine is 320.08 g/mol.
Where can I buy 9-Benzyl-6-chloro-2-phenylpurine?
You can request a quote for 9-Benzyl-6-chloro-2-phenylpurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-6-chloro-2-phenylpurine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-6-chloro-2-phenylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.