CAS RN: 38517-23-6
sodium hydrogen N-(1-oxooctadecyl)-L-glutamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS38517-23-6
- Purity/Analytical Methods: >99.0%
38517-23-6 / sodium (4S)-5-hydroxy-4-(octadecanoylamino)-5-oxopentanoate
Basic Information
CAS
38517-23-6
Multi CAS
Yes
Molecular Formula
C23H42NNAO5
Molecular Weight
435.600000
Exact Mass
435.296068
InChI
InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/p-1/t20-;/m0./s1
InChIKey
QKHBMQWPOUUMQZ-BDQAORGHSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.87
Rotatable bonds
21
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.35
TPSA
106.53
LogP / Solubility
WLOGP
1.35
MLOGP
1.22
XLogP3
1.35
Consensus LogP
1.31
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42
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
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