CAS RN: 30891-53-3
Adenosine, N,N-dimethyl-2′-O-methyl-
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.20260630 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30891-53-3
- Purity/Analytical Methods: >99.0%
30891-53-3 / (2R,3R,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Basic Information
CAS
30891-53-3
Multi CAS
Yes
Molecular Formula
C13H19N5O4
Molecular Weight
309.320000
Exact Mass
309.143704
InChI
InChI=1S/C13H19N5O4/c1-17(2)11-8-12(15-5-14-11)18(6-16-8)13-10(21-3)9(20)7(4-19)22-13/h5-7,9-10,13,19-20H,4H2,1-3H3/t7-,9-,10-,13-/m1/s1
InChIKey
IPRQAJTUSRLECG-QYVSTXNMSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
77.45
TPSA
105.76
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.73
XLogP3
0.3
Consensus LogP
-0.42
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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