CAS RN: 1246298-40-7
N-lauroyl-1-deoxysphinganine (M18:0/12:0)
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.20250208 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246298-40-7
- Purity/Analytical Methods: >99.0%
1246298-40-7 / N-[(2S,3R)-3-hydroxyoctadecan-2-yl]dodecanamide
Basic Information
CAS
1246298-40-7
Multi CAS
No
Molecular Formula
C30H61NO2
Molecular Weight
467.800000
Exact Mass
467.470230
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](C)NC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C30H61NO2/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-29(32)28(3)31-30(33)27-25-23-21-18-13-11-9-7-5-2/h28-29,32H,4-27H2,1-3H3,(H,31,33)/t28-,29+/m0/s1
InChIKey
DQGYOBJTRPLKRT-URLMMPGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.97
Rotatable bonds
26
H-bond acceptors
2
H-bond donors
2
Molar refractivity
145.77
TPSA
49.33
LogP / Solubility
WLOGP
9.25
MLOGP
8.18
XLogP3
12.3
Consensus LogP
9.91
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-10.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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