CAS RN: 1279033-91-8
N-Acetyl-S-ethyl-L-cysteine-d5
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.20260220 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1279033-91-8
- Purity/Analytical Methods: >99.0%
1279033-91-8 / (2R)-2-acetamido-3-(1,1,2,2,2-pentadeuterioethylsulfanyl)propanoic acid
Basic Information
CAS
1279033-91-8
Multi CAS
No
Molecular Formula
C7H13NO3S
Molecular Weight
196.280000
Exact Mass
196.092998
SMILES
[2H]C([2H])([2H])C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C7H13NO3S/c1-3-12-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1/i1D3,3D2
InChIKey
BSVHABSINROVJJ-UUCRSUAGSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.24
TPSA
66.4
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.2
Consensus LogP
0.27
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.65
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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