CAS RN: 25168-73-4
Sucrose stearate
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.20250929 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS25168-73-4
- Purity/Analytical Methods: >99.0%
25168-73-4 / [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate
Basic Information
CAS
25168-73-4
Multi CAS
No
Molecular Formula
C30H56O12
Molecular Weight
608.800000
Exact Mass
608.377177
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C30H56O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-20-30(28(38)25(35)22(19-32)41-30)42-29-27(37)26(36)24(34)21(18-31)40-29/h21-22,24-29,31-32,34-38H,2-20H2,1H3/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey
SZYSLWCAWVWFLT-UTGHZIEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.97
Rotatable bonds
22
H-bond acceptors
12
H-bond donors
7
Molar refractivity
152.06
TPSA
195.6
LogP / Solubility
WLOGP
1.42
MLOGP
1.3
XLogP3
4.7
Consensus LogP
2.47
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.43
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
8.5
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