CAS RN: 30452-69-8
L-cystine S,S-dioxide
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.20250305 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30452-69-8
- Purity/Analytical Methods: >99.0%
30452-69-8 / 2-amino-3-(2-amino-2-carboxyethyl)sulfonylsulfanylpropanoic acid
Basic Information
CAS
30452-69-8
Multi CAS
Yes
Molecular Formula
C6H12N2O6S2
Molecular Weight
272.300000
Exact Mass
272.013678
InChI
InChI=1S/C6H12N2O6S2/c7-3(5(9)10)1-15-16(13,14)2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
RXQXJZDPDXVIEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
4
Molar refractivity
57.47
TPSA
160.78
LogP / Solubility
WLOGP
-2.13
MLOGP
-1.86
XLogP3
-7.1
Consensus LogP
-3.7
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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