CAS RN: 63459-47-2
ACETIC-1-13C-2-D3 ACID-1 H (D)
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.20250427 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS63459-47-2
- Purity/Analytical Methods: >99.0%
63459-47-2 / deuterio 2,2,2-trideuterioacetate
Basic Information
CAS
63459-47-2
Multi CAS
Yes
Molecular Formula
C2H4O2
Molecular Weight
65.069000
Exact Mass
65.049591
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3,2+1/hD
InChIKey
QTBSBXVTEAMEQO-OIFRIMMXSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
13.31
TPSA
37.3
LogP / Solubility
WLOGP
0.09
MLOGP
0.06
XLogP3
-0.2
Consensus LogP
-0.02
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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