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CAS 123408-74-2 N-Myristoyl-D-erythro-sphingosine molecular structure lightbox
CAS RN: 123408-74-2

N-Myristoyl-D-erythro-sphingosine

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS123408-74-2
  • Purity/Analytical Methods: >99.0%
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123408-74-2 / N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradecanamide

Standard CAS: 123408-74-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
123408-74-2
Multi CAS
No
Molecular Formula
C32H63NO3
Molecular Weight
509.800000
Exact Mass
509.480795
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
InChIKey
ZKRPGPZHULJLKJ-JHRQRACZSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.91
Rotatable bonds
28
H-bond acceptors
3
H-bond donors
3
Molar refractivity
156.32
TPSA
69.56

LogP / Solubility

WLOGP
8.78
MLOGP
7.77
XLogP3
11.8
Consensus LogP
9.45
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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