CAS RN: 96801-55-7
1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS96801-55-7
- Purity/Analytical Methods: >99.0%
96801-55-7 / [(2R)-2-acetylsulfanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
96801-55-7
Multi CAS
Yes
Molecular Formula
C26H54NO6PS
Molecular Weight
539.800000
Exact Mass
539.340947
InChI
InChI=1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(35-25(2)28)24-33-34(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKey
YPPZOKNKENLFTE-AREMUKBSSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.96
Rotatable bonds
25
H-bond acceptors
7
Molar refractivity
145.6
TPSA
84.89
LogP / Solubility
WLOGP
6.34
MLOGP
5.62
XLogP3
7.1
Consensus LogP
6.35
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.43
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)
-1.51
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
3.5
Customers Also Viewed
-
-
2,4-Dichloro-5-fluoro-6-trifluoromethyl-pyrimidine
- CAS RN: 96819-53-3
- Product Code: SSC-212112
-
4,6-Dichloro-5-fluoro-2-(trifluoromethyl) pyrimidine
- CAS RN: 96819-55-5
- Product Code: SSC-212113
-
2-[(4-Acetylphenyl)methyl]cyclopentan-1-one
- CAS RN: 96824-28-1
- Product Code: starshine_CAS96824-28-1
- Purity/Analytical method: >99.0%
-
2-Oxazolecarboxaldehyde, 5-phenyl-
- CAS RN: 96829-89-9
- Product Code: starshine_CAS96829-89-9
- Purity/Analytical method: >99.0%
-
![CAS 96824-28-1 2-[(4-Acetylphenyl)methyl]cyclopentan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96824-28-1.gif)
