CAS RN: 83851-38-1
LEUKOTRIENE A3 METHYL ESTER
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.20251104 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83851-38-1
- Purity/Analytical Methods: >99.0%
83851-38-1 / methyl 4-(3-tetradeca-1,3,5-trienyloxiran-2-yl)butanoate
Basic Information
CAS
83851-38-1
Multi CAS
Yes
Molecular Formula
C21H34O3
Molecular Weight
334.500000
Exact Mass
334.250795
InChI
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h10-14,16,19-20H,3-9,15,17-18H2,1-2H3/b11-10?,13-12+,16-14+/t19-,20-/m0/s1
InChIKey
YOAQIJHBMIIBJM-CZVBCWTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.67
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
99.94
TPSA
38.83
LogP / Solubility
WLOGP
5.52
MLOGP
4.87
XLogP3
6.3
Consensus LogP
5.56
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84
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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