CAS RN: 1391194-64-1
(2S)-Octyl-α-hydroxyglutarate
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260120 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391194-64-1
- Purity/Analytical Methods: >99.0%
1391194-64-1 / (4S)-4-hydroxy-5-octoxy-5-oxopentanoic acid
Basic Information
CAS
1391194-64-1
Multi CAS
No
Molecular Formula
C13H24O5
Molecular Weight
260.330000
Exact Mass
260.162374
SMILES
CCCCCCCCOC(=O)[C@H](CCC(=O)O)O
InChI
InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKey
UJZOKTKSGUOCCM-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.21
TPSA
83.83
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.8
Consensus LogP
2.26
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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