![CAS 59491-62-2 1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59491-62-2.gif)
CAS RN: 59491-62-2
1-[CIS-9-OCTADECENOYL]-2-HEXADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260319 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251219 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS59491-62-2
- Purity/Analytical Methods: >99.0%
59491-62-2 / (2-hexadecanoyloxy-3-octadec-9-enoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
59491-62-2
Multi CAS
Yes
Molecular Formula
C42H82NO8P
Molecular Weight
760.100000
Exact Mass
759.577806
InChI
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKey
RRVPPYNAZJRZFR-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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