CAS RN: 6493-06-7
HYDROXY PENTOXIFYLLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6493-06-7
- Purity/Analytical Methods: >99.0%
6493-06-7 / 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione
Basic Information
CAS
6493-06-7
Multi CAS
Yes
Molecular Formula
C13H20N4O3
Molecular Weight
280.320000
Exact Mass
280.153541
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3
InChIKey
NSMXQKNUPPXBRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
75.75
TPSA
82.05
LogP / Solubility
WLOGP
-0.02
XLogP3
0.7
Consensus LogP
0.23
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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