CAS RN: 207121-48-0
L-CYSTEINESULFINIC ACID MONOHYDRATE
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250124 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS207121-48-0
- Purity/Analytical Methods: >99.0%
207121-48-0 / (2R)-2-amino-3-sulfinopropanoic acid;hydrate
Basic Information
CAS
207121-48-0
Multi CAS
No
Molecular Formula
C3H9NO5S
Molecular Weight
171.170000
Exact Mass
171.020144
SMILES
C([C@@H](C(=O)O)N)S(=O)O.O
InChI
InChI=1S/C3H7NO4S.H2O/c4-2(3(5)6)1-9(7)8;/h2H,1,4H2,(H,5,6)(H,7,8);1H2/t2-;/m0./s1
InChIKey
YQIXTMZYGQXTCZ-DKWTVANSSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.86
TPSA
132.12
LogP / Solubility
WLOGP
-2.2
MLOGP
-1.94
XLogP3
-2.2
Consensus LogP
-2.11
Log S (ESOL)
0.69
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.7
Class (SILICOS-IT)
Highly 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)
-5.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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