CAS RN: 74713-58-9
N-BUTANOYL-D-ERYTHRO-SPHINGOSINE
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.20250803 | 5mg | In stock | Hebei | Inquiry |
- Product code: starshine_CAS74713-58-9
- Purity/Analytical Methods: >99.0%
74713-58-9 / N-[(2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
Basic Information
CAS
74713-58-9
Multi CAS
Yes
Molecular Formula
C22H43NO3
Molecular Weight
369.600000
Exact Mass
369.324294
InChI
InChI=1S/C22H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h16,18,20-21,24-25H,3-15,17,19H2,1-2H3,(H,23,26)/b18-16+/t20-,21+/m0/s1
InChIKey
UCBLGIBMIAFISC-CQLAPORSSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
3
Molar refractivity
110.15
TPSA
69.56
LogP / Solubility
WLOGP
4.88
MLOGP
4.32
XLogP3
6.4
Consensus LogP
5.2
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
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)
-1.51
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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