7-benzyl-2,6-dichloro-7H-purine
TL;DR: 7-benzyl-2,6-dichloro-7H-purine (CAS 6343-13-1) 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.
7-benzyl-2,6-dichloropurine
Also Known As: 7-benzyl-2,6-dichloro-7H-purine, 7-benzyl-2,6-dichloropurine, Purine, 7-benzyl-2,6-dichloro-, 2,6-dichloro-7-benzylpurine, 7-benzyl-2,6-dichloro-purine
| Molecular Formula | C12H8Cl2N4 |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 3.6 |
| 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 | 6343-13-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2C(=NC(=N3)Cl)Cl |
| InChIKey | XRCTVEFABOUQNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-benzyl-2,6-dichloro-7H-purine (CAS 6343-13-1), with molecular formula C12H8Cl2N4 and molecular weight 278.01 g/mol. IUPAC: 7-benzyl-2,6-dichloropurine.
Chemical Property Profile of 7-benzyl-2,6-dichloro-7H-purine
Property Insights of 7-benzyl-2,6-dichloro-7H-purine
The XLogP value of 3.6 indicates that 7-benzyl-2,6-dichloro-7H-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, 7-benzyl-2,6-dichloro-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-benzyl-2,6-dichloro-7H-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 7-benzyl-2,6-dichloro-7H-purine?
The CAS number of 7-benzyl-2,6-dichloro-7H-purine is 6343-13-1.
What is the molecular formula of 7-benzyl-2,6-dichloro-7H-purine?
The molecular formula of 7-benzyl-2,6-dichloro-7H-purine is C12H8Cl2N4.
What is the molecular weight of 7-benzyl-2,6-dichloro-7H-purine?
The molecular weight of 7-benzyl-2,6-dichloro-7H-purine is 278.01 g/mol.
Where can I buy 7-benzyl-2,6-dichloro-7H-purine?
You can request a quote for 7-benzyl-2,6-dichloro-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-benzyl-2,6-dichloro-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-2,6-dichloro-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.