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CAS 7344-02-7 N-ARACHIDOYL-D-ERYTHRO-SPHINGOSINE molecular structure lightbox
CAS RN: 7344-02-7

N-ARACHIDOYL-D-ERYTHRO-SPHINGOSINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7344-02-7
  • Purity/Analytical Methods: >99.0%
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7344-02-7 / N-[(2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]icosanamide

Standard CAS: 7344-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7344-02-7
Multi CAS
Yes
Molecular Formula
C38H75NO3
Molecular Weight
594.000000
Exact Mass
593.574695
InChI
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKey
XWBWIAOWSABHFI-PQQNNWGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.92
Rotatable bonds
34
H-bond acceptors
3
H-bond donors
3
Molar refractivity
184.02
TPSA
69.56

LogP / Solubility

WLOGP
11.12
MLOGP
9.84
XLogP3
15
Consensus LogP
11.99
Log S (ESOL)
-8.29
Class (ESOL)
Insoluble
Log S (Ali)
-12.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.83
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)
1.55

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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