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CAS RN: 1346617-05-7
L-2-AMinobutyric Acid-d5 Methyl Ester Hydrochloride
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.20260408 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1346617-05-7
- Purity/Analytical Methods: >99.0%
1346617-05-7 / methyl (2S)-2-amino-3,3,4,4,4-pentadeuteriobutanoate;hydrochloride
Basic Information
CAS
1346617-05-7
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
158.640000
Exact Mass
158.087040
SMILES
[2H]C([2H])([2H])C([2H])([2H])[C@@H](C(=O)OC)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1/i1D3,3D2;
InChIKey
AHAQQEGUPULIOZ-DJSUJWQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.53
TPSA
52.32
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
0.32
Consensus LogP
0.3
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-3.43
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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