![CAS 56421-10-4 1-OCTADECANOYL-2-[CIS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56421-10-4.gif)
CAS RN: 56421-10-4
1-OCTADECANOYL-2-[CIS-9-OCTADECENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-164380
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
56421-10-4 / (3-octadecanoyloxy-2-octadec-9-enoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
56421-10-4
Multi CAS
Yes
Molecular Formula
C44H86NO8P
Molecular Weight
788.100000
Exact Mass
787.609106
InChI
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m1/s1
InChIKey
ATHVAWFAEPLPPQ-VRDBWYNSSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Fraction Csp3
0.91
Rotatable bonds
41
H-bond acceptors
8
Molar refractivity
222.25
TPSA
111.19
LogP / Solubility
WLOGP
11.95
MLOGP
10.58
XLogP3
14.7
Consensus LogP
12.41
Log S (ESOL)
-9.55
Class (ESOL)
Insoluble
Log S (Ali)
-14.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.62
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)
0.96
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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