CAS RN: 89771-78-8
C16 3′-sulfo Galactosylceramide (d18:1/16:0)
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.20260524 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89771-78-8
- Purity/Analytical Methods: >99.0%
89771-78-8 / [(2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Basic Information
CAS
89771-78-8
Multi CAS
Yes
Molecular Formula
C40H77NO11S
Molecular Weight
780.100000
Exact Mass
779.521733
InChI
InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1
InChIKey
CJGVDSGIQZDLDO-PHLJAKBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.93
Rotatable bonds
35
H-bond acceptors
10
H-bond donors
6
Molar refractivity
208.6
TPSA
192.08
LogP / Solubility
WLOGP
7.21
MLOGP
6.42
XLogP3
10.9
Consensus LogP
8.18
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-11.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.92
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)
-2.36
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
7.5
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- CAS RN: 89772-41-8
- Product Code: starshine_CAS89772-41-8
- Purity/Analytical method: >99.0%
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