CAS RN: 80115-95-3
N-ACETYL LEUKOTRIENE E4
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.20250308 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80115-95-3
- Purity/Analytical Methods: >99.0%
80115-95-3 / 6-(2-acetamido-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Basic Information
CAS
80115-95-3
Multi CAS
Yes
Molecular Formula
C25H39NO6S
Molecular Weight
481.600000
Exact Mass
481.249809
InChI
InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)
InChIKey
BGGYAYMMFYBWEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.56
Rotatable bonds
19
H-bond acceptors
5
H-bond donors
4
Molar refractivity
134.3
TPSA
123.93
LogP / Solubility
WLOGP
4.49
MLOGP
3.98
XLogP3
4.6
Consensus LogP
4.36
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
