CAS RN: 89596-43-0
LEUKOTRIENE B4-3-AMINOPROPYLAMIDE
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.20250714 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89596-43-0
- Purity/Analytical Methods: >99.0%
89596-43-0 / (5S,6Z,8E,10E,12R,14Z)-N-(3-aminopropyl)-5,12-dihydroxyicosa-6,8,10,14-tetraenamide
Basic Information
CAS
89596-43-0
Multi CAS
Yes
Molecular Formula
C23H40N2O3
Molecular Weight
392.600000
Exact Mass
392.303893
InChI
InChI=1S/C23H40N2O3/c1-2-3-4-5-6-9-14-21(26)15-10-7-8-11-16-22(27)17-12-18-23(28)25-20-13-19-24/h6-11,15-16,21-22,26-27H,2-5,12-14,17-20,24H2,1H3,(H,25,28)/b8-7+,9-6-,15-10+,16-11-/t21-,22-/m1/s1
InChIKey
OIKPVPQZNCNDHN-IKJWWRMISA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.61
Rotatable bonds
17
H-bond acceptors
4
H-bond donors
4
Molar refractivity
117.86
TPSA
95.58
LogP / Solubility
WLOGP
3.54
MLOGP
3.14
XLogP3
3.3
Consensus LogP
3.33
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.19
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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