CAS RN: 1286597-21-4
(R)-Aminofol-d3
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.20250705 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1286597-21-4
- Purity/Analytical Methods: >99.0%
1286597-21-4 / (4R)-3-(2,2,2-trideuterioacetyl)-1,3-thiazolidine-4-carboxylic acid
Basic Information
CAS
1286597-21-4
Multi CAS
No
Molecular Formula
C6H9NO3S
Molecular Weight
178.230000
Exact Mass
178.049145
SMILES
[2H]C([2H])([2H])C(=O)N1CSC[C@H]1C(=O)O
InChI
InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1/i1D3
InChIKey
WXTBYSIPOKXCPM-MQBGRFPLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.27
TPSA
57.61
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
-0.1
Consensus LogP
-0.04
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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