CAS RN: 40725-89-1
3′-Deoxytubercidin
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.20250927 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40725-89-1
- Purity/Analytical Methods: >99.0%
40725-89-1 / (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
Basic Information
CAS
40725-89-1
Multi CAS
Yes
Molecular Formula
C11H14N4O3
Molecular Weight
250.250000
Exact Mass
250.106590
InChI
InChI=1S/C11H14N4O3/c12-9-7-1-2-15(10(7)14-5-13-9)11-8(17)3-6(4-16)18-11/h1-2,5-6,8,11,16-17H,3-4H2,(H2,12,13,14)
InChIKey
GAKDEQRUZQIUER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
63.56
TPSA
106.42
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.3
XLogP3
-0.9
Consensus LogP
-0.52
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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