![CAS 36497-69-5 S-[(4-ethenylphenyl)Methyl]- L-cysteine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36497-69-5.gif)
CAS RN: 36497-69-5
S-[(4-ethenylphenyl)Methyl]- L-cysteine
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.20250720 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS36497-69-5
- Purity/Analytical Methods: >99.0%
36497-69-5 / (2R)-2-amino-3-[(4-ethenylphenyl)methylsulfanyl]propanoic acid
Basic Information
CAS
36497-69-5
Multi CAS
No
Molecular Formula
C12H15NO2S
Molecular Weight
237.320000
Exact Mass
237.082350
InChI
InChI=1S/C12H15NO2S/c1-2-9-3-5-10(6-4-9)7-16-8-11(13)12(14)15/h2-6,11H,1,7-8,13H2,(H,14,15)/t11-/m0/s1
InChIKey
CVEYTISTWOTKMM-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.31
TPSA
63.32
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
-0.4
Consensus LogP
1.1
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
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)
-2.77
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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![CAS 36507-30-9 1A,10B-DIHYDRO-6H-DIBENZO[B,F]OXIRENO[D]AZEPINE-6-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36507-30-9.gif)
