CAS RN: 1747-18-8
Tetradecanoic acid, 6-hydroxy-
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.20250303 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1747-18-8
- Purity/Analytical Methods: >99.0%
1747-18-8 / 6-hydroxytetradecanoic acid
Basic Information
CAS
1747-18-8
Multi CAS
No
Molecular Formula
C14H28O3
Molecular Weight
244.370000
Exact Mass
244.203845
SMILES
CCCCCCCCC(CCCCC(=O)O)O
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey
XQMCCPUZOKUEHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.1
TPSA
57.53
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
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)
-1.55
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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