![CAS 136743-38-9 [S-(R*,R*)]-3-AMino-2-hydroxy-propanoic-2,3-d2 Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136743-38-9.gif)
CAS RN: 136743-38-9
[S-(R*,R*)]-3-AMino-2-hydroxy-propanoic-2,3-d2 Acid
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.20250723 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS136743-38-9
- Purity/Analytical Methods: >99.0%
136743-38-9 / (2S)-3-amino-2,3-dideuterio-2-hydroxypropanoic acid
Basic Information
CAS
136743-38-9
Multi CAS
No
Molecular Formula
C3H7NO3
Molecular Weight
107.100000
Exact Mass
107.055147
SMILES
[2H]C([C@@]([2H])(C(=O)O)O)N
InChI
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1D,2D/t1-,2+/m1
InChIKey
BMYNFMYTOJXKLE-POUBFHHOSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
22.7
TPSA
83.55
LogP / Solubility
WLOGP
-1.61
MLOGP
-1.43
XLogP3
-4
Consensus LogP
-2.35
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
Class (SILICOS-IT)
Highly 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)
-4.5
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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