CAS RN: 68414-18-6
ADENOSINE 5′-DIPHOSPHORIBOSE SODIUM SALT
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68414-18-6
- Purity/Analytical Methods: >99.0%
68414-18-6 / ADENOSINE 5′-DIPHOSPHORIBOSE SODIUM SALT
Basic Information
CAS
68414-18-6
Multi CAS
Yes
Molecular Formula
C15H23N5NAO14P2
Molecular Weight
582.310000
Exact Mass
582.061444
InChI
InChI=1S/C15H23N5O14P2.Na/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21;/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18);
InChIKey
LVIWKNSMPKNKBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
17
H-bond donors
8
Molar refractivity
118.14
TPSA
299.36
LogP / Solubility
WLOGP
-3.82
MLOGP
-3.32
XLogP3
-3.82
Consensus LogP
-3.65
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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