CAS RN: 97512-83-9
S-Phenylsulfonylcysteine
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.20260105 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97512-83-9
- Purity/Analytical Methods: >99.0%
97512-83-9 / 2-amino-3-(benzenesulfonylsulfanyl)propanoic acid
Basic Information
CAS
97512-83-9
Multi CAS
Yes
Molecular Formula
C9H11NO4S2
Molecular Weight
261.300000
Exact Mass
261.012950
InChI
InChI=1S/C9H11NO4S2/c10-8(9(11)12)6-15-16(13,14)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
YKYWKTOUPAICGF-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.7
TPSA
97.46
LogP / Solubility
WLOGP
0.52
MLOGP
0.47
XLogP3
-2
Consensus LogP
-0.34
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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