CAS RN: 110270-19-4
2-(D-XYLO-TETRAHYDROXYBUTYL)-4(R)-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260503 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS110270-19-4
- Purity/Analytical Methods: >99.0%
110270-19-4 / (2R,4R)-2-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid
2-(1',2',3',4'-Tetrahydroxybutyl)thiazolidine-4-carboxylic acid | RefChem:909023 | 2-(1,2,3,4-Tetrahydroxybutyl)-4-thiazolidinecarboxylic acid
Basic Information
CAS
110270-19-4
Multi CAS
Yes
Molecular Formula
C8H15NO6S
Molecular Weight
253.280000
Exact Mass
253.062008
SMILES
C1[C@H](N[C@H](S1)[C@@H]([C@H]([C@@H](CO)O)O)O)C(=O)O
InChI
InChI=1S/C8H15NO6S/c10-1-4(11)5(12)6(13)7-9-3(2-16-7)8(14)15/h3-7,9-13H,1-2H2,(H,14,15)
InChIKey
AGZXTDUDXXPCMJ-UHFFFAOYSA-N
Synonyms
2-(1',2',3',4'-Tetrahydroxybutyl)thiazolidine-4-carboxylic acid
RefChem:909023
2-(1,2,3,4-Tetrahydroxybutyl)-4-thiazolidinecarboxylic acid
2-(1,2,3,4-Tetrahydroxybutyl)thiazolidine-4-carboxylic acid
2-(1,2,3,4-Tetrahydroxybutyl)-1,3-thiazolidine-4-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
6
Molar refractivity
55.91
TPSA
130.25
LogP / Solubility
WLOGP
-2.82
MLOGP
-2.48
XLogP3
-4.8
Consensus LogP
-3.37
Log S (ESOL)
0.7
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.44
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)
-6.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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