CAS RN: 54699-43-3
8-(Tetrahydro-2H-pyran-2-yloxy)octanoic acid
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.20260204 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54699-43-3
- Purity/Analytical Methods: >99.0%
54699-43-3 / 8-(oxan-2-yloxy)octanoic acid
Basic Information
CAS
54699-43-3
Multi CAS
No
Molecular Formula
C13H24O4
Molecular Weight
244.330000
Exact Mass
244.167459
InChI
InChI=1S/C13H24O4/c14-12(15)8-4-2-1-3-6-10-16-13-9-5-7-11-17-13/h13H,1-11H2,(H,14,15)
InChIKey
UPDTWNRPGTYVOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.88
TPSA
55.76
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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