CAS RN: 1795786-57-0
AAMA-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.20250926 | 1mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1795786-57-0
- Purity/Analytical Methods: >99.0%
1795786-57-0 / (2R)-3-(3-amino-3-oxopropyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Basic Information
CAS
1795786-57-0
Multi CAS
No
Molecular Formula
C8H14N2O4S
Molecular Weight
237.290000
Exact Mass
237.086258
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(=O)N)C(=O)O
InChI
InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1/i1D3
InChIKey
GGBCHNJZQQEQRX-FYFSCIFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.38
TPSA
109.49
LogP / Solubility
WLOGP
-0.82
MLOGP
-0.71
XLogP3
-1.3
Consensus LogP
-0.94
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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