CAS RN: 31281-88-6
8-INDOADENOSINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS31281-88-6
- Purity/Analytical Methods: >99.0%
31281-88-6 / 2-(6-amino-8-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
31281-88-6
Multi CAS
Yes
Molecular Formula
C10H12In5O4
Molecular Weight
393.140000
Exact Mass
392.993400
InChI
InChI=1S/C10H12IN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
InChIKey
CYOIMLAHGVOKIG-UUOKFMHZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
75.46
TPSA
139.54
LogP / Solubility
WLOGP
-1.38
MLOGP
-1.19
XLogP3
-0.4
Consensus LogP
-0.99
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-6.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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