CAS RN: 54397-84-1
12(S)-HHT
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.20260323 | 50μg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS54397-84-1
- Purity/Analytical Methods: >99.0%
54397-84-1 / 12-hydroxyheptadeca-5,8,10-trienoic acid
Basic Information
CAS
54397-84-1
Multi CAS
Yes
Molecular Formula
C17H28O3
Molecular Weight
280.400000
Exact Mass
280.203845
InChI
InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
InChIKey
KUKJHGXXZWHSBG-WBGSEQOASA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.59
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.67
TPSA
57.53
LogP / Solubility
WLOGP
4.24
MLOGP
3.74
XLogP3
4.1
Consensus LogP
4.03
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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