[email protected]
CAS 52977-29-4 1-OCTADECYL LPA molecular structure lightbox
CAS RN: 52977-29-4

1-OCTADECYL LPA

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS52977-29-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

52977-29-4 / [(2R)-2-hydroxy-3-octadecoxypropyl] dihydrogen phosphate

Standard CAS: 52977-29-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52977-29-4
Multi CAS
Yes
Molecular Formula
C21H45O6P
Molecular Weight
424.600000
Exact Mass
424.295376
InChI
InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)
InChIKey
HUUYDUFSUADEJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
4
H-bond donors
3
Molar refractivity
114.37
TPSA
96.22

LogP / Solubility

WLOGP
5.73
MLOGP
5.07
XLogP3
6.5
Consensus LogP
5.77
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
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)
-1.24

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

Customers Also Viewed

Get In Touch

Contact Us