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CAS 67492-16-4 N-Heptadecanoyl-D-erythro-sphingosine molecular structure lightbox
CAS RN: 67492-16-4

N-Heptadecanoyl-D-erythro-sphingosine

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4 package records2 with current stock2 grade groups
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Batchno.20260630 10mg Out of stock Inquiry
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  • Product code: starshine_CAS67492-16-4
  • Purity/Analytical Methods: >99.0%
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67492-16-4 / N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide

Standard CAS: 67492-16-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67492-16-4
Multi CAS
Yes
Molecular Formula
C35H69NO3
Molecular Weight
551.900000
Exact Mass
551.527745
InChI
InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
InChIKey
ICWGMOFDULMCFL-QKSCFGQVSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.91
Rotatable bonds
31
H-bond acceptors
3
H-bond donors
3
Molar refractivity
170.17
TPSA
69.56

LogP / Solubility

WLOGP
9.95
MLOGP
8.8
XLogP3
13.4
Consensus LogP
10.72
Log S (ESOL)
-7.49
Class (ESOL)
Insoluble
Log S (Ali)
-11.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.23
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)
0.98

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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