CAS RN: 54527-26-3
7-OXODODECANOIC 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.20250410 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54527-26-3
- Purity/Analytical Methods: >99.0%
54527-26-3 / 7-oxododecanoic acid
Basic Information
CAS
54527-26-3
Multi CAS
No
Molecular Formula
C12H22O3
Molecular Weight
214.300000
Exact Mass
214.156895
InChI
InChI=1S/C12H22O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
InChIKey
UYRLZDDBOQZTSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.87
TPSA
54.37
LogP / Solubility
WLOGP
3.17
MLOGP
2.79
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.78
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
1.5
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