CAS RN: 2389-02-8
13-Oxotetradecanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2389-02-8
- Purity/Analytical Methods: >99.0%
2389-02-8 / 13-oxotetradecanoic acid
Basic Information
CAS
2389-02-8
Multi CAS
No
Molecular Formula
C14H26O3
Molecular Weight
242.350000
Exact Mass
242.188195
SMILES
CC(=O)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H26O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-12H2,1H3,(H,16,17)
InChIKey
YPWBYMBZGDPMOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.1
TPSA
54.37
LogP / Solubility
WLOGP
3.95
MLOGP
3.48
XLogP3
3.1
Consensus LogP
3.51
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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)
-1.39
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
1.5
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