CAS RN: 905954-28-1
1-Amino-3,6,9,12,15,18-hexaoxahenicosan-21-oic Acid
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-203153
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: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
905954-28-1 / 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
905954-28-1
Multi CAS
No
Molecular Formula
C15H31NO8
Molecular Weight
353.410000
Exact Mass
353.204967
InChI
InChI=1S/C15H31NO8/c16-2-4-20-6-8-22-10-12-24-14-13-23-11-9-21-7-5-19-3-1-15(17)18/h1-14,16H2,(H,17,18)
InChIKey
PVRGRRPCHFTMMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.93
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
2
Molar refractivity
86.22
TPSA
118.7
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.4
XLogP3
-4.4
Consensus LogP
-1.76
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
