CAS RN: 60668-81-7
S-Benzyl-L-cystein-S-oxide
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.20260204 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60668-81-7
- Purity/Analytical Methods: >99.0%
60668-81-7 / 2-amino-3-benzylsulfinylpropanoic acid
Basic Information
CAS
60668-81-7
Multi CAS
Yes
Molecular Formula
C10H13NO3S
Molecular Weight
227.280000
Exact Mass
227.061614
InChI
InChI=1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-,15?/m0/s1
InChIKey
OBQBHBOGTLPNJM-HJULIUOESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.77
TPSA
80.39
LogP / Solubility
WLOGP
0.35
MLOGP
0.31
XLogP3
-2.7
Consensus LogP
-0.68
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 60684-59-5 Butanoic acid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60684-59-5.gif)
