CAS RN: 1000852-57-2
14,15-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.20251119 | 50μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000852-57-2
- Purity/Analytical Methods: >99.0%
1000852-57-2 / (5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-amino-2-carboxyethyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoic acid
SMP2_000236
Basic Information
CAS
1000852-57-2
Multi CAS
Yes
Molecular Formula
C23H37NO5S
Molecular Weight
439.600000
Exact Mass
439.239244
SMILES
CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)SC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b6-4-,9-7-,10-8+,16-13+/t19-,20-,21+/m0/s1
InChIKey
JLJNENVYAVKECZ-HRXVJLLUSA-N
Synonyms
SMP2_000236
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.57
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
4
Molar refractivity
124.67
TPSA
120.85
LogP / Solubility
WLOGP
4.31
MLOGP
3.82
XLogP3
1.9
Consensus LogP
3.34
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
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)
-2.34
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
4
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