CAS RN: 347841-88-7
NICOTINAMIDE-2,4,5,6-D4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS347841-88-7
- Purity/Analytical Methods: >99.0%
347841-88-7 / 2,4,5,6-tetradeuteriopyridine-3-carboxamide
Basic Information
CAS
347841-88-7
Multi CAS
Yes
Molecular Formula
C6H6N2O
Molecular Weight
126.150000
Exact Mass
126.073120
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i1D,2D,3D,4D
InChIKey
DFPAKSUCGFBDDF-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.75
TPSA
55.98
LogP / Solubility
WLOGP
0.18
MLOGP
0.15
XLogP3
-0.4
Consensus LogP
-0.02
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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