CAS RN: 22681-73-8
Cysteine, 2-methyl- (8CI,9CI)
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.20260618 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22681-73-8
- Purity/Analytical Methods: >99.0%
22681-73-8 / (2R)-2-amino-2-methyl-3-sulfanylpropanoic acid
Basic Information
CAS
22681-73-8
Multi CAS
No
Molecular Formula
C4H9NO2S
Molecular Weight
135.190000
Exact Mass
135.035400
SMILES
C[C@](CS)(C(=O)O)N
InChI
InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
NZBONMFLYFGTAC-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.08
TPSA
63.32
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.26
XLogP3
-2.9
Consensus LogP
-1.15
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very 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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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