CAS RN: 52691-62-0
1-O-HEXADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
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.20260502 | 1mg | In stock | Shandong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS52691-62-0
- Purity/Analytical Methods: >99.0%
52691-62-0 / (3-hexadecoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Basic Information
CAS
52691-62-0
Multi CAS
Yes
Molecular Formula
C24H52NO6P
Molecular Weight
481.600000
Exact Mass
481.353225
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
InChIKey
VLBPIWYTPAXCFJ-XMMPIXPASA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
6
H-bond donors
1
Molar refractivity
129.55
TPSA
88.05
LogP / Solubility
WLOGP
5.05
MLOGP
4.48
XLogP3
5.9
Consensus LogP
5.14
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.07
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
3.5
Customers Also Viewed
-
-
3-METHANESULFONYL-PYRIDINE
- CAS RN: 52693-61-5
- Product Code: starshine_CAS52693-61-5
- Purity/Analytical method: >99.0%
-
(S)-(+)-MT-45 (hydrochloride)
- CAS RN: 52694-54-9
- Product Code: starshine_CAS52694-54-9
- Purity/Analytical method: >99.0%
-
N-(2-bromophenyl)-3-oxobutanamide
- CAS RN: 52700-65-9
- Product Code: starshine_CAS52700-65-9
- Purity/Analytical method: >99.0%
-
-
