CAS RN: 129489-47-0
2H-Pyran-2-carboxylicacid,tetrahydro-5-hydroxy-,trans-(9CI)
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.20250801 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS129489-47-0
- Purity/Analytical Methods: >99.0%
129489-47-0 / (2R,5S)-5-hydroxyoxane-2-carboxylic acid
Basic Information
CAS
129489-47-0
Multi CAS
No
Molecular Formula
C6H10O4
Molecular Weight
146.140000
Exact Mass
146.057909
SMILES
C1C[C@@H](OC[C@H]1O)C(=O)O
InChI
InChI=1S/C6H10O4/c7-4-1-2-5(6(8)9)10-3-4/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChIKey
FHKBUSTUTXQFLS-CRCLSJGQSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.62
TPSA
66.76
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.35
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
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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