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CAS RN: 34245-49-3
Adenosine, 5′-deoxy-5′-(MethylaMino)-2′,3′-O-(1-Methylethylidene)-
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.20250522 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34245-49-3
- Purity/Analytical Methods: >99.0%
34245-49-3 / 9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(methylaminomethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
Basic Information
CAS
34245-49-3
Multi CAS
Yes
Molecular Formula
C14H20N6O3
Molecular Weight
320.350000
Exact Mass
320.159689
InChI
InChI=1S/C14H20N6O3/c1-14(2)22-9-7(4-16-3)21-13(10(9)23-14)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,16H,4H2,1-3H3,(H2,15,17,18)/t7-,9-,10-,13-/m1/s1
InChIKey
SJXNSGJHLDXAIO-QYVSTXNMSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
2
Molar refractivity
81.4
TPSA
109.34
LogP / Solubility
WLOGP
0.05
MLOGP
0.05
XLogP3
-0.6
Consensus LogP
-0.17
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-4.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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