[email protected]
CAS 799812-75-2 D-erythro-sphingosine-1-phosphate (C20 base) molecular structure lightbox
CAS RN: 799812-75-2

D-erythro-sphingosine-1-phosphate (C20 base)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250924 1mg In stock Inquiry
  • Product code: starshine_CAS799812-75-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

799812-75-2 / [(E,2S,3R)-2-azaniumyl-3-hydroxyicos-4-enyl] hydrogen phosphate

Standard CAS: 799812-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
799812-75-2
Multi CAS
Yes
Molecular Formula
C20H42NO5P
Molecular Weight
407.500000
Exact Mass
407.280060
InChI
InChI=1S/C20H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h16-17,19-20,22H,2-15,18,21H2,1H3,(H2,23,24,25)/b17-16+/t19-,20+/m0/s1
InChIKey
YUUWWSOTAGQJFW-YIVRLKKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.9
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.91
TPSA
117.46

LogP / Solubility

WLOGP
3.47
MLOGP
3.08
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.47
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)
-2.74

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
4

Customers Also Viewed

Get In Touch

Contact Us