8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione
TL;DR: 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione (CAS 114303-79-6) is a chemical compound with molecular formula C10H11ClN4O3 and molecular weight 270.05197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione
Also Known As: 8-chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione, 8-chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C10H11ClN4O3 |
| Molecular Weight | 270.05197 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.05197 Da |
| Heavy Atoms | 18 |
| Complexity | 407.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3CO3 |
| InChIKey | JALJPBUMHBYGDH-UHFFFAOYSA-N |
Chemical Property Profile of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione
Property Insights of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-(oxiran-2-ylmethyl)purine-2,6-dione?
The CAS number of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione is 114303-79-6.
What is the molecular formula of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione?
The molecular formula of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione is C10H11ClN4O3.
What is the molecular weight of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione?
The molecular weight of 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione is 270.05197 g/mol.
Where can I buy 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione?
You can request a quote for 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)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-(oxiran-2-ylmethyl)purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Chloro-1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.