CAS RN: 66758-35-8
6,6′-DIBEHENOYL-ALPHA,ALPHA’-TREHALOSE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-176425
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.01g, 0.025g, 0.05g, 0.1g, 0.25g
- Available purity: >99%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.01g | >99% | 2 In Stock | Shenzhen | Inquiry |
| 0.025g | >99% | 2 In Stock | Beijing | Inquiry |
| 0.05g | >99% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >99% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >99% | 2 In Stock | Shanghai | Inquiry |
66758-35-8 / [6-[6-(docosanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl docosanoate
Basic Information
CAS
66758-35-8
Multi CAS
Yes
Molecular Formula
C56H106O13
Molecular Weight
987.400000
Exact Mass
986.763343
InChI
InChI=1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1
InChIKey
ZLJJDBSDZSZVTF-LXOQPCSCSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Fraction Csp3
0.96
Rotatable bonds
46
H-bond acceptors
13
H-bond donors
6
Molar refractivity
272.39
TPSA
201.67
LogP / Solubility
WLOGP
11.35
MLOGP
10.08
XLogP3
17
Consensus LogP
12.81
Log S (ESOL)
-10.08
Class (ESOL)
Insoluble
Log S (Ali)
-15.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.02
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
Yes
Log Kp (skin permeation)
-0.69
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
9
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