6-chloro-9-(p-tolyl)-9H-purine
TL;DR: 6-chloro-9-(p-tolyl)-9H-purine (CAS 123201-00-3) is a chemical compound with molecular formula C12H9ClN4 and molecular weight 244.05157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-9-(4-methylphenyl)purine
Also Known As: 6-chloro-9-(p-tolyl)-9H-purine, 6-chloro-9-(4-methylphenyl)purine, 6-Chloro-9-(4-methylphenyl)-9H-purine, 9H-Purine, 6-chloro-9-(4-methylphenyl)-, 9H-Purine,6-chloro-9-(4-methylphenyl)
Technical Specifications
| Molecular Formula | C12H9ClN4 |
| Molecular Weight | 244.05157 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.05157 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | CC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3Cl |
| InChIKey | LHJDQEDPBWFXPC-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-9-(p-tolyl)-9H-purine
Property Insights of 6-chloro-9-(p-tolyl)-9H-purine
The XLogP value of 3.0 indicates that 6-chloro-9-(p-tolyl)-9H-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, 6-chloro-9-(p-tolyl)-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-9-(p-tolyl)-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
What is the CAS number of 6-chloro-9-(p-tolyl)-9H-purine?
The CAS number of 6-chloro-9-(p-tolyl)-9H-purine is 123201-00-3.
What is the molecular formula of 6-chloro-9-(p-tolyl)-9H-purine?
The molecular formula of 6-chloro-9-(p-tolyl)-9H-purine is C12H9ClN4.
What is the molecular weight of 6-chloro-9-(p-tolyl)-9H-purine?
The molecular weight of 6-chloro-9-(p-tolyl)-9H-purine is 244.05157 g/mol.
Where can I buy 6-chloro-9-(p-tolyl)-9H-purine?
You can request a quote for 6-chloro-9-(p-tolyl)-9H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-9-(p-tolyl)-9H-purine?
Yes, CoreyChem provides custom synthesis services for 6-chloro-9-(p-tolyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.