CAS RN: 26853-31-6
POPC
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 100mg | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20251022 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251119 | 25mg | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250920 | 500mg | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20251010 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-125193
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
26853-31-6 / (3-hexadecanoyloxy-2-octadec-9-enoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
26853-31-6
Multi CAS
No
Molecular Formula
C42H82NO8P
Molecular Weight
760.100000
Exact Mass
759.577806
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKey
WTJKGGKOPKCXLL-VYOBOKEXSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Fraction Csp3
0.9
Rotatable bonds
39
H-bond acceptors
8
Molar refractivity
213.01
TPSA
111.19
LogP / Solubility
WLOGP
11.17
MLOGP
9.9
XLogP3
13.6
Consensus LogP
11.56
Log S (ESOL)
-9.01
Class (ESOL)
Insoluble
Log S (Ali)
-13.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.55
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
0.57
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
5
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