CAS RN: 1356933-73-7
N-(Acetyl-d3)-S-(3-carboxy-2-propyl)-L-cysteine Disodium Salt
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.20250824 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356933-73-7
- Purity/Analytical Methods: >99.0%
1356933-73-7 / disodium;3-[(2R)-2-carboxylato-2-[(2,2,2-trideuterioacetyl)amino]ethyl]sulfanylbutanoate
Basic Information
CAS
1356933-73-7
Multi CAS
No
Molecular Formula
C9H13NNa2O5S
Molecular Weight
296.270000
Exact Mass
296.049812
SMILES
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C9H15NO5S.2Na/c1-5(3-8(12)13)16-4-7(9(14)15)10-6(2)11;;/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2/t5?,7-;;/m0../s1/i2D3;;
InChIKey
MUCIEDHPXAQZRB-YRXXMFLKSA-L
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
54.16
TPSA
109.36
LogP / Solubility
WLOGP
-8.49
MLOGP
-7.46
XLogP3
-8.49
Consensus LogP
-8.15
Log S (ESOL)
4.15
Class (ESOL)
Highly soluble
Log S (Ali)
4.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.64
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)
-10.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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