CAS RN: 20859-00-1
2-methylthio-N-6-isopentenyladenosine
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260506 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251005 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260107 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260122 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260402 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260202 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20859-00-1
- Purity/Analytical Methods: >99.0%
20859-00-1 / (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Basic Information
CAS
20859-00-1
Multi CAS
No
Molecular Formula
C16H23N5O4S
Molecular Weight
381.500000
Exact Mass
381.147075
SMILES
CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
InChI
InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
InChIKey
VZQXUWKZDSEQRR-SDBHATRESA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
98.03
TPSA
125.55
LogP / Solubility
WLOGP
0.54
MLOGP
0.5
XLogP3
2
Consensus LogP
1.01
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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