CAS RN: 1246298-50-9
N-(2′-(R)-hydroxynervonoyl)-D-erythro-sphingosine
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.20250106 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1246298-50-9
- Purity/Analytical Methods: >99.0%
1246298-50-9 / (Z,2R)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxytetracos-15-enamide
Basic Information
CAS
1246298-50-9
Multi CAS
No
Molecular Formula
C42H81NO4
Molecular Weight
664.100000
Exact Mass
663.616560
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)[C@@H](CCCCCCCCCCCC/C=C\CCCCCCCC)O)O
InChI
InChI=1S/C42H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18,34,36,39-41,44-46H,3-16,19-33,35,37-38H2,1-2H3,(H,43,47)/b18-17-,36-34+/t39-,40+,41+/m0/s1
InChIKey
AEJPDHWODCHVKB-LDVUWZDOSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.88
Rotatable bonds
37
H-bond acceptors
4
H-bond donors
4
Molar refractivity
203.79
TPSA
89.79
LogP / Solubility
WLOGP
11.43
MLOGP
10.11
XLogP3
15.5
Consensus LogP
12.35
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-13.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.9
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)
1.34
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
5.5
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![CAS 1246303-14-9 (1R,2R)-N-([S]-1-{4-[5-broMo-2-oxo-2,3-dihydro-1H-benzo(d)iMidazol-1-yl]piperidin-1-yl}propan-2-yl)-2-phenylcyclopropanecarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246303-14-9.gif)
