[email protected]
CAS 474923-27-8 D-erythro-sphingosine-1-phosphate (C17 base) molecular structure lightbox
CAS RN: 474923-27-8

D-erythro-sphingosine-1-phosphate (C17 base)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251212 1mg In stock Inquiry
  • Product code: starshine_CAS474923-27-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

474923-27-8 / [(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] dihydrogen phosphate

Standard CAS: 474923-27-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
474923-27-8
Multi CAS
Yes
Molecular Formula
C17H36NO5P
Molecular Weight
365.400000
Exact Mass
365.233110
InChI
InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1
InChIKey
VITGNIYTXHNNNE-LHMZYYNSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
16
H-bond acceptors
4
H-bond donors
4
Molar refractivity
97.58
TPSA
113.01

LogP / Solubility

WLOGP
3.65
MLOGP
3.23
XLogP3
1.4
Consensus LogP
2.76
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36

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
3.5

Customers Also Viewed

Get In Touch

Contact Us