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CAS 119567-63-4 D-ERYTHRO-SPHINGOSINE, N,N-DIMETHYL- molecular structure lightbox
CAS RN: 119567-63-4

D-ERYTHRO-SPHINGOSINE, N,N-DIMETHYL-

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 200μl / 1ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS119567-63-4
  • Purity/Analytical Methods: >99.0%
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119567-63-4 / (E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol

2-(dimethylamino)octadec-4-ene-1,3-diol | D-erythro-N,N-Dimethylsphingosine-d6 | 2-DIMETHYLAMINO-4-OCTADECENE-1,3-DIOL

Standard CAS: 119567-63-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
119567-63-4
Multi CAS
Yes
Molecular Formula
C20H41NO2
Molecular Weight
327.500000
Exact Mass
327.313730
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O
InChI
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
InChIKey
YRXOQXUDKDCXME-YIVRLKKSSA-N
Synonyms
2-(dimethylamino)octadec-4-ene-1,3-diol D-erythro-N,N-Dimethylsphingosine-d6 2-DIMETHYLAMINO-4-OCTADECENE-1,3-DIOL IN1356 SCHEMBL121926

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.9
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
2
Molar refractivity
100.79
TPSA
43.7

LogP / Solubility

WLOGP
4.53
MLOGP
4
XLogP3
6.3
Consensus LogP
4.94
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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

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