9-Benzyl-9H-purine
TL;DR: 9-Benzyl-9H-purine (CAS 30817-23-3) is a chemical compound with molecular formula C12H10N4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzylpurine
Also Known As: 9-Benzyl-9H-purine, 9-benzylpurine, 9H-Purine, 9-(phenylmethyl)-, 9H-Purine,9-(phenylmethyl)-, J1.070.700E
| Molecular Formula | C12H10N4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.09055 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 30817-23-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=CN=CN=C32 |
| InChIKey | MDOUSORGCMUMBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Benzyl-9H-purine (CAS 30817-23-3), with molecular formula C12H10N4 and molecular weight 210.09 g/mol. IUPAC: 9-benzylpurine.
Chemical Property Profile of 9-Benzyl-9H-purine
Property Insights of 9-Benzyl-9H-purine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-9H-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 9-Benzyl-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-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-9H-purine?
The CAS number of 9-Benzyl-9H-purine is 30817-23-3.
What is the molecular formula of 9-Benzyl-9H-purine?
The molecular formula of 9-Benzyl-9H-purine is C12H10N4.
What is the molecular weight of 9-Benzyl-9H-purine?
The molecular weight of 9-Benzyl-9H-purine is 210.09 g/mol.
Where can I buy 9-Benzyl-9H-purine?
You can request a quote for 9-Benzyl-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-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.