6-chloro-9-methyl-9H-purine
TL;DR: 6-chloro-9-methyl-9H-purine (CAS 2346-74-9) is a chemical compound with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-methylpurine
Also Known As: 6-Chloro-9-methylpurine, 6-chloro-9-methyl-9H-purine, 9-Methyl-6-chloropurine, 9H-Purine, 6-chloro-9-methyl-, 6-chloro-9-methyl-purine
| Molecular Formula | C6H5ClN4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.02028 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2346-74-9 |
|---|---|
| SMILES | CN1C=NC2=C1N=CN=C2Cl |
| InChIKey | UEZNSCCMEMUEMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-chloro-9-methyl-9H-purine (CAS 2346-74-9), with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol. IUPAC: 6-chloro-9-methylpurine.
Chemical Property Profile of 6-chloro-9-methyl-9H-purine
Property Insights of 6-chloro-9-methyl-9H-purine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-9-methyl-9H-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 6-chloro-9-methyl-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-9-methyl-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 6-chloro-9-methyl-9H-purine?
The CAS number of 6-chloro-9-methyl-9H-purine is 2346-74-9.
What is the molecular formula of 6-chloro-9-methyl-9H-purine?
The molecular formula of 6-chloro-9-methyl-9H-purine is C6H5ClN4.
What is the molecular weight of 6-chloro-9-methyl-9H-purine?
The molecular weight of 6-chloro-9-methyl-9H-purine is 168.02 g/mol.
Where can I buy 6-chloro-9-methyl-9H-purine?
You can request a quote for 6-chloro-9-methyl-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-9-methyl-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-9-methyl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.