CAS RN: 1331909-01-3
Phenylacetyl-d5 L-Glutamine
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.20250719 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1331909-01-3
- Purity/Analytical Methods: >99.0%
1331909-01-3 / (2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acid
Basic Information
CAS
1331909-01-3
Multi CAS
No
Molecular Formula
C13H16N2O4
Molecular Weight
269.310000
Exact Mass
269.142391
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[2H])[2H]
InChI
InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1/i1D,2D,3D,4D,5D
InChIKey
JFLIEFSWGNOPJJ-CJMNRESHSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
68.14
TPSA
109.49
LogP / Solubility
WLOGP
0.06
MLOGP
0.06
Consensus LogP
0.04
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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