CAS RN: 2123485-34-5
19,20-EDP epoxide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 100μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2123485-34-5
- Purity/Analytical Methods: >99.0%
2123485-34-5 / (4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-N-(2-hydroxyethyl)octadeca-4,7,10,13,16-pentaenamide
Basic Information
CAS
2123485-34-5
Multi CAS
No
Molecular Formula
C24H37NO3
Molecular Weight
387.600000
Exact Mass
387.277344
SMILES
CCC1C(O1)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO
InChI
InChI=1S/C24H37NO3/c1-2-22-23(28-22)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24(27)25-20-21-26/h3-4,7-10,13-16,22-23,26H,2,5-6,11-12,17-21H2,1H3,(H,25,27)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKey
HQRHKQCFLLFLJV-MBYQGORISA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.54
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.07
TPSA
61.86
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
4.4
Consensus LogP
4.47
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
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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