![CAS 209665-22-5 L-ALANINE, 3-[(3-HYDROXYPROPYL)SULFINYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209665-22-5.gif)
CAS RN: 209665-22-5
L-ALANINE, 3-[(3-HYDROXYPROPYL)SULFINYL]-
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.20260214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS209665-22-5
- Purity/Analytical Methods: >99.0%
209665-22-5 / (2R)-2-amino-3-(3-hydroxypropylsulfinyl)propanoic acid
Basic Information
CAS
209665-22-5
Multi CAS
No
Molecular Formula
C6H13NO4S
Molecular Weight
195.240000
Exact Mass
195.056529
SMILES
C(CO)CS(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO4S/c7-5(6(9)10)4-12(11)3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-,12?/m0/s1
InChIKey
JKLZQOWIWNYTTI-XHBICQFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
45.19
TPSA
100.62
LogP / Solubility
WLOGP
-1.47
MLOGP
-1.29
XLogP3
-4.7
Consensus LogP
-2.49
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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