[email protected]
CAS 77286-66-9 1-O-OCTADECYL-2-O-METHYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 77286-66-9

1-O-OCTADECYL-2-O-METHYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 5mg In stock Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 1mg Out of stock Inquiry
Batchno.20251023 25mg Out of stock Inquiry
Batchno.20250709 5mg In stock Inquiry
  • Product code: starshine_CAS77286-66-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

77286-66-9 / (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 77286-66-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77286-66-9
Multi CAS
Yes
Molecular Formula
C27H58NO6P
Molecular Weight
523.700000
Exact Mass
523.400176
InChI
InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1
InChIKey
MHFRGQHAERHWKZ-HHHXNRCGSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
27
H-bond acceptors
6
Molar refractivity
143.57
TPSA
77.05

LogP / Solubility

WLOGP
6.49
MLOGP
5.75
XLogP3
7.6
Consensus LogP
6.61
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31

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

Get In Touch

Contact Us