CAS RN: 7298-93-3
α-Nicotinamide adenine dinucleotide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250724 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS7298-93-3
- Purity/Analytical Methods: >99.0%
7298-93-3 / [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Basic Information
CAS
7298-93-3
Multi CAS
Yes
Molecular Formula
C21H27N7O14P2
Molecular Weight
663.400000
Exact Mass
663.109123
InChI
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)
InChIKey
BAWFJGJZGIEFAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
11
H-bond acceptors
18
H-bond donors
7
Molar refractivity
137.16
TPSA
321.09
LogP / Solubility
WLOGP
-3.65
MLOGP
-3.15
XLogP3
-6
Consensus LogP
-4.27
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-9.36
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
10
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