CAS RN: 1279039-06-3
N-ACETYL-S-METHYL-L-CYSTEINE-D3
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.20250416 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1279039-06-3
- Purity/Analytical Methods: >99.0%
1279039-06-3 / (2R)-2-acetamido-3-(trideuteriomethylsulfanyl)propanoic acid
Basic Information
CAS
1279039-06-3
Multi CAS
No
Molecular Formula
C6H11NO3S
Molecular Weight
180.240000
Exact Mass
180.064795
SMILES
[2H]C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1/i2D3
InChIKey
RYGLCORNOFFGTB-OJWMFZEYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.62
TPSA
66.4
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
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)
-3.84
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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