2,6,8-trichloro-7-methyl-7H-purine
TL;DR: 2,6,8-trichloro-7-methyl-7H-purine (CAS 16404-16-3) is a chemical compound with molecular formula C6H3Cl3N4 and molecular weight 235.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8-trichloro-7-methylpurine
Also Known As: 2,6,8-trichloro-7-methyl-7h-purine, 2,6,8-trichloro-7-methylpurine, 7-Methyltrichlorpurin, 7H-Purine, 2,6,8-trichloro-7-methyl-, NCIOpen2_003235
| Molecular Formula | C6H3Cl3N4 |
|---|---|
| Molecular Weight | 235.94 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.94232 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 16404-16-3 |
|---|---|
| SMILES | CN1C2=C(N=C(N=C2Cl)Cl)N=C1Cl |
| InChIKey | UMASKSWPRALKCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,8-trichloro-7-methyl-7H-purine (CAS 16404-16-3), with molecular formula C6H3Cl3N4 and molecular weight 235.94 g/mol. IUPAC: 2,6,8-trichloro-7-methylpurine.
Chemical Property Profile of 2,6,8-trichloro-7-methyl-7H-purine
Property Insights of 2,6,8-trichloro-7-methyl-7H-purine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,8-trichloro-7-methyl-7H-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 2,6,8-trichloro-7-methyl-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,8-trichloro-7-methyl-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 2,6,8-trichloro-7-methyl-7H-purine?
The CAS number of 2,6,8-trichloro-7-methyl-7H-purine is 16404-16-3.
What is the molecular formula of 2,6,8-trichloro-7-methyl-7H-purine?
The molecular formula of 2,6,8-trichloro-7-methyl-7H-purine is C6H3Cl3N4.
What is the molecular weight of 2,6,8-trichloro-7-methyl-7H-purine?
The molecular weight of 2,6,8-trichloro-7-methyl-7H-purine is 235.94 g/mol.
Where can I buy 2,6,8-trichloro-7-methyl-7H-purine?
You can request a quote for 2,6,8-trichloro-7-methyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,8-trichloro-7-methyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6,8-trichloro-7-methyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.