8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 155581-80-9) is a chemical compound with molecular formula C10H13ClN4O2 and molecular weight 256.0727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
Also Known As: BAS 01381288, 8-chloro-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione, 8-CHLORO-1,3-DIMETHYL-7-(PROPAN-2-YL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-Chloro-7-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-(methylethyl)-1,3,7-trihydropurine-2,6-dione
Technical Specifications
| Molecular Formula | C10H13ClN4O2 |
| Molecular Weight | 256.0727 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0727 Da |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
| SMILES | CC(C)N1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C |
| InChIKey | AGQCSTVGZYTTEH-UHFFFAOYSA-N |
Chemical Property Profile of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 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 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 155581-80-9.
What is the molecular formula of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C10H13ClN4O2.
What is the molecular weight of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 256.0727 g/mol.
Where can I buy 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Chloro-1,3-dimethyl-7-(propan-2-YL)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.