CAS RN: 916979-34-5
Allopurinol-d2
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS916979-34-5
- Purity/Analytical Methods: >99.0%
916979-34-5 / 3,6-dideuterio-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
Basic Information
CAS
916979-34-5
Multi CAS
Yes
Molecular Formula
C5H4N4O
Molecular Weight
138.120000
Exact Mass
138.051064
InChI
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)/i1D,2D
InChIKey
OFCNXPDARWKPPY-QDNHWIQGSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.63
TPSA
74.43
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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