CAS RN: 100324-81-0
1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250813 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250716 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250306 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260210 | 1mg / 5mg / 25mg | Out of stock | 30 business days | Inquiry | |
| Batchno.20260125 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250306 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250222 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS100324-81-0
- Purity/Analytical Methods: >99.0%
100324-81-0 / 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
(+/-)-Lisofylline | Hydroxy pentoxifylline | ( inverted exclamation markA)-LISOFYLLINE
Basic Information
CAS
100324-81-0
Multi CAS
Yes
Molecular Formula
C13H20N4O3
Molecular Weight
280.320000
Exact Mass
280.153541
SMILES
C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
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/t9-/m1/s1
InChIKey
NSMXQKNUPPXBRG-SECBINFHSA-N
Synonyms
(+/-)-Lisofylline
Hydroxy pentoxifylline
( inverted exclamation markA)-LISOFYLLINE
Penthydroxyfylline
BL 194
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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