![CAS 179030-22-9 (3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-hydroxyMethyl-2-Methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179030-22-9.gif)
CAS RN: 179030-22-9
(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-hydroxyMethyl-2-Methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250916 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260401 | 1g | Out of stock | Inquiry | ||
| Batchno.20260409 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260107 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250909 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS179030-22-9
- Purity/Analytical Methods: >99.0%
179030-22-9 / (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Basic Information
CAS
179030-22-9
Multi CAS
No
Molecular Formula
C8H13NO4S
Molecular Weight
219.260000
Exact Mass
219.056529
SMILES
CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChI
InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey
DRHXTSWSUAJOJZ-FMDGEEDCSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
52.25
TPSA
82.28
LogP / Solubility
WLOGP
-1.04
MLOGP
-0.91
XLogP3
-1.1
Consensus LogP
-1.02
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
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)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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