6-chloro-2-methyl-9H-purine
TL;DR: 6-chloro-2-methyl-9H-purine (CAS 100859-35-6) is a chemical compound with molecular formula C6H5ClN4 and molecular weight 168.02028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-methyl-7H-purine
Also Known As: 6-CHLORO-2-METHYL-9H-PURINE, 6-chloro-2-methyl-7H-purine, methyl 6-chloropurine, 2-methyl-6-chloropurine, 9H-Purine, 6-chloro-2-methyl-
Technical Specifications
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.02028 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.02028 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CC1=NC2=C(C(=N1)Cl)NC=N2 |
| InChIKey | KKTMNZXPLHVDBC-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-2-methyl-9H-purine
Property Insights of 6-chloro-2-methyl-9H-purine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-2-methyl-9H-purine. With a topological polar surface area (TPSA) of 54.5 Ų, 6-chloro-2-methyl-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-2-methyl-9H-purine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-chloro-2-methyl-9H-purine?
The CAS number of 6-chloro-2-methyl-9H-purine is 100859-35-6.
What is the molecular formula of 6-chloro-2-methyl-9H-purine?
The molecular formula of 6-chloro-2-methyl-9H-purine is C6H5ClN4.
What is the molecular weight of 6-chloro-2-methyl-9H-purine?
The molecular weight of 6-chloro-2-methyl-9H-purine is 168.02028 g/mol.
Where can I buy 6-chloro-2-methyl-9H-purine?
You can request a quote for 6-chloro-2-methyl-9H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-2-methyl-9H-purine?
Yes, CoreyChem provides custom synthesis services for 6-chloro-2-methyl-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.