9-Benzyl-2,6-dichloro-9H-purine
TL;DR: 9-Benzyl-2,6-dichloro-9H-purine (CAS 79064-26-9) is a chemical compound with molecular formula C12H8Cl2N4 and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2,6-dichloropurine
Also Known As: 9-Benzyl-2,6-dichloro-9H-purine, 9-benzyl-2,6-dichloropurine, 2,6-dichloro-9-benzylpurine, 9-benzyl-2,6-dichloro-purine, 9-Benzyl-26-dichloro-9H-purine
| Molecular Formula | C12H8Cl2N4 |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0126 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 79064-26-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl |
| InChIKey | CUYCHULDTCBWLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Benzyl-2,6-dichloro-9H-purine (CAS 79064-26-9), with molecular formula C12H8Cl2N4 and molecular weight 278.01 g/mol. IUPAC: 9-benzyl-2,6-dichloropurine.
Chemical Property Profile of 9-Benzyl-2,6-dichloro-9H-purine
Property Insights of 9-Benzyl-2,6-dichloro-9H-purine
The XLogP value of 4.0 indicates that 9-Benzyl-2,6-dichloro-9H-purine 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-2,6-dichloro-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-2,6-dichloro-9H-purine 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-2,6-dichloro-9H-purine?
The CAS number of 9-Benzyl-2,6-dichloro-9H-purine is 79064-26-9.
What is the molecular formula of 9-Benzyl-2,6-dichloro-9H-purine?
The molecular formula of 9-Benzyl-2,6-dichloro-9H-purine is C12H8Cl2N4.
What is the molecular weight of 9-Benzyl-2,6-dichloro-9H-purine?
The molecular weight of 9-Benzyl-2,6-dichloro-9H-purine is 278.01 g/mol.
Where can I buy 9-Benzyl-2,6-dichloro-9H-purine?
You can request a quote for 9-Benzyl-2,6-dichloro-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-2,6-dichloro-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2,6-dichloro-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.