CAS RN: 94885-02-6
C6-NBD-CERAMIDE
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.20250306 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS94885-02-6
- Purity/Analytical Methods: >99.0%
94885-02-6 / N-(1,3-dihydroxyoctadec-4-en-2-yl)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
Basic Information
CAS
94885-02-6
Multi CAS
Yes
Molecular Formula
C30H49N5O6
Molecular Weight
575.700000
Exact Mass
575.368284
InChI
InChI=1S/C30H49N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27(37)25(23-36)32-28(38)19-16-14-17-22-31-24-20-21-26(35(39)40)30-29(24)33-41-34-30/h15,18,20-21,25,27,31,36-37H,2-14,16-17,19,22-23H2,1H3,(H,32,38)/b18-15+/t25-,27+/m0/s1
InChIKey
HZIRBXILQRLFIK-VPZZKNKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
9
Fraction Csp3
0.7
Rotatable bonds
24
H-bond acceptors
9
H-bond donors
4
Molar refractivity
160.66
TPSA
163.65
LogP / Solubility
WLOGP
6.2
MLOGP
5.5
XLogP3
7.3
Consensus LogP
6.33
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
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
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