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CAS 34354-88-6 (2S, 3S, 4R)-2-STEAROYLIMINO-1,3,4-OCTADECANETRIOL-1-PHOSPHOCHOLINE (SACCHAROMYCES CEREVISIAE) molecular structure lightbox
CAS RN: 34354-88-6

(2S, 3S, 4R)-2-STEAROYLIMINO-1,3,4-OCTADECANETRIOL-1-PHOSPHOCHOLINE (SACCHAROMYCES CEREVISIAE)

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Batchno.20250607 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34354-88-6
  • Purity/Analytical Methods: >99.0%
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34354-88-6 / N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide

Standard CAS: 34354-88-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34354-88-6
Multi CAS
Yes
Molecular Formula
C36H73NO4
Molecular Weight
584.000000
Exact Mass
583.553960
InChI
InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
InChIKey
IEZRNEGTKRQRFV-LFBNJJMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.97
Rotatable bonds
33
H-bond acceptors
4
H-bond donors
4
Molar refractivity
176.27
TPSA
89.79

LogP / Solubility

WLOGP
9.54
MLOGP
8.44
XLogP3
13.3
Consensus LogP
10.43
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-11.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.49

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
5.5

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