35873-49-5
Product Name:
8-CYCLOPENTYL-1,3-DIMETHYLXANTHINE
Formula:
C12H16N4O2
Synonyms:
8-Cyclopentyltheophylline;CPT
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >37.2 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 158.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 248.28 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.12732577 g/mol |
| Monoisotopic Mass | 248.12732577 g/mol |
| Topological Polar Surface Area | 69.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 380 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione is an oxopurine.