[email protected]
CAS 22002-85-3 2-hydroxy-3-(phosphonooxy)propyl palmitate molecular structure lightbox
CAS RN: 22002-85-3

2-hydroxy-3-(phosphonooxy)propyl palmitate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 1mg In stock Shandong Inquiry
  • Product code: starshine_CAS22002-85-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22002-85-3 / (2-hydroxy-3-phosphonooxypropyl) hexadecanoate

Standard CAS: 22002-85-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22002-85-3
Multi CAS
No
Molecular Formula
C19H39O7P
Molecular Weight
410.500000
Exact Mass
410.243341
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)
InChIKey
YNDYKPRNFWPPFU-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
5
H-bond donors
3
Molar refractivity
105.27
TPSA
113.29

LogP / Solubility

WLOGP
4.48
MLOGP
3.97
XLogP3
5
Consensus LogP
4.48
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us