CAS RN: 35899-54-8
5′-ISOBUTYLTHIO-5′-DEOXYADENOSINE
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260319 | 1g | Out of stock | Inquiry | |
| Batchno.20250222 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250821 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250904 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260307 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250324 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS35899-54-8
- Purity/Analytical Methods: >99.0%
35899-54-8 / (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Basic Information
CAS
35899-54-8
Multi CAS
Yes
Molecular Formula
C14H21N5O3S
Molecular Weight
339.420000
Exact Mass
339.136511
InChI
InChI=1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey
JDDUQGRUPLKDNT-IDTAVKCVSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
3
Molar refractivity
87.82
TPSA
119.31
LogP / Solubility
WLOGP
0.42
MLOGP
0.38
XLogP3
1.1
Consensus LogP
0.63
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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