[email protected]
CAS 61596-53-0 1,2-DIEICOSANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 61596-53-0

1,2-DIEICOSANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg Out of stock Inquiry
Batchno.20251110 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250324 250mg Out of stock Inquiry
  • Product code: starshine_CAS61596-53-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

61596-53-0 / 2,3-di(icosanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 61596-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61596-53-0
Multi CAS
Yes
Molecular Formula
C48H96NO8P
Molecular Weight
846.300000
Exact Mass
845.687356
InChI
InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/t46-/m1/s1
InChIKey
YKIOPDIXYAUOFN-YACUFSJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.96
Rotatable bonds
46
H-bond acceptors
8
Molar refractivity
240.81
TPSA
111.19

LogP / Solubility

WLOGP
13.73
MLOGP
12.16
XLogP3
17.8
Consensus LogP
14.56
Log S (ESOL)
-10.7
Class (ESOL)
Insoluble
Log S (Ali)
-16.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.08
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)
1.87

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

Customers Also Viewed

Get In Touch

Contact Us