8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione
TL;DR: 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione (CAS 1150-47-6) is a chemical compound with molecular formula C12H17BrN4O2 and molecular weight 328.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-1,3-dimethyl-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5732859:001, 8-bromo-1,3-dimethyl-7-pentylpurine-2,6-dione, BAS 02080990, AB01299143-01, AE-641/10126051
Technical Specifications
| Molecular Formula | C12H17BrN4O2 |
| Molecular Weight | 328.0535 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0535 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
| InChIKey | PAGNVYFKRGXJNB-UHFFFAOYSA-N |
Chemical Property Profile of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione
Property Insights of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-1,3-dimethyl-7-pentylpurine-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-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione?
The CAS number of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione is 1150-47-6.
What is the molecular formula of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione?
The molecular formula of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione is C12H17BrN4O2.
What is the molecular weight of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione?
The molecular weight of 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione is 328.0535 g/mol.
Where can I buy 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione?
You can request a quote for 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-Bromo-1,3-dimethyl-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.