CAS RN: 799812-62-7
N-lauroyl-ceraMide-1-phosphate (aMMoniuM salt)
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.20260504 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799812-62-7
- Purity/Analytical Methods: >99.0%
799812-62-7 / azanium [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate
Basic Information
CAS
799812-62-7
Multi CAS
Yes
Molecular Formula
C30H63N2O6P
Molecular Weight
578.800000
Exact Mass
578.442375
InChI
InChI=1S/C30H60NO6P.H3N/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2;/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36);1H3/b25-23+;/t28-,29+;/m0./s1
InChIKey
BZXZJNUBNUWPEQ-GMVBIGKRSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.9
Rotatable bonds
28
H-bond acceptors
5
H-bond donors
4
Molar refractivity
161.76
TPSA
155.42
LogP / Solubility
WLOGP
7.86
MLOGP
6.97
XLogP3
7.86
Consensus LogP
7.56
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.67
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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