1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- (CAS 111038-24-5) is a chemical compound with molecular formula C10H13BrN4O4 and molecular weight 332.01202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-bromotheophylline, 8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione, BAS 02378832, 4-26-00-02450 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
Technical Specifications
| Molecular Formula | C10H13BrN4O4 |
| Molecular Weight | 332.01202 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.01202 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(CO)O |
| InChIKey | JYPDPXFFZDJFKZ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
The XLogP value of -0.8 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- is 111038-24-5.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- is C10H13BrN4O4.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- is 332.01202 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.