CAS RN: 10605-09-1
6-O-Stearoyl-L-ascorbic Acid
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.20260219 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTA0617
- Purity/Analytical Methods: >95.0%(T)
10605-09-1 / [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
Ascorbyl 6-stearate | L-Ascorbic acid 6-stearate | Vitamin C monostearate
Basic Information
CAS
10605-09-1
Multi CAS
Yes
Molecular Formula
C24H42O7
Molecular Weight
442.600000
Exact Mass
442.293054
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1
InChIKey
LITUBCVUXPBCGA-WMZHIEFXSA-N
Synonyms
Ascorbyl 6-stearate
L-Ascorbic acid 6-stearate
Vitamin C monostearate
6-O-Stearylascorbic acid
6-O-Stearoyl-L-ascorbic Acid
Physical Properties
Physical Description
White or yellowish, white powder with a citrus-like odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.83
Rotatable bonds
19
H-bond acceptors
7
H-bond donors
3
Molar refractivity
118.68
TPSA
113.29
LogP / Solubility
WLOGP
5.41
MLOGP
4.79
XLogP3
7.3
Consensus LogP
5.83
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
