CAS RN: 204259-63-2
2-Propenoic-2,3,3-d3acid(9CI)
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.20251031 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS204259-63-2
- Purity/Analytical Methods: >99.0%
204259-63-2 / 2,3,3-trideuterioprop-2-enoic acid
Basic Information
CAS
204259-63-2
Multi CAS
No
Molecular Formula
C3H4O2
Molecular Weight
75.080000
Exact Mass
75.039960
SMILES
[2H]C(=C([2H])C(=O)O)[2H]
InChI
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i1D2,2D
InChIKey
NIXOWILDQLNWCW-FUDHJZNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.83
TPSA
37.3
LogP / Solubility
WLOGP
0.26
MLOGP
0.21
XLogP3
0.3
Consensus LogP
0.26
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1
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