CAS RN: 97040-38-5
EOS (d18:1/30:0/18:2)
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.20251219 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97040-38-5
- Purity/Analytical Methods: >99.0%
97040-38-5 / [30-[[(E)-1,3-dihydroxyoctadec-4-en-2-yl]amino]-30-oxotriacontyl] (9E,12E)-octadeca-9,12-dienoate
Basic Information
CAS
97040-38-5
Multi CAS
Yes
Molecular Formula
C66H125NO5
Molecular Weight
1012.700000
Exact Mass
1011.955776
InChI
InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+
InChIKey
CJKGLEVYDCRGBX-UUHZUQCYSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Fraction Csp3
0.88
Rotatable bonds
60
H-bond acceptors
5
H-bond donors
3
Molar refractivity
314.83
TPSA
95.86
LogP / Solubility
WLOGP
20.36
MLOGP
18.02
XLogP3
26.2
Consensus LogP
21.53
Log S (ESOL)
-14.99
Class (ESOL)
Insoluble
Log S (Ali)
-22.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-30.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
5.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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