CAS RN: 1357350-92-5
S-(2,4-Dimethylbenzene)-D,L-cysteine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1357350-92-5
- Purity/Analytical Methods: >99.0%
1357350-92-5 / 2-amino-3-(2,4-dimethylphenyl)sulfanylpropanoic acid
Basic Information
CAS
1357350-92-5
Multi CAS
No
Molecular Formula
C11H15NO2S
Molecular Weight
225.310000
Exact Mass
225.082350
SMILES
CC1=CC(=C(C=C1)SCC(C(=O)O)N)C
InChI
InChI=1S/C11H15NO2S/c1-7-3-4-10(8(2)5-7)15-6-9(12)11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChIKey
QMZQFHPIZQSJSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.25
TPSA
63.32
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
-0.4
Consensus LogP
1
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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