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CAS 352518-80-0 N-nervonoyl-D-erythro-sphinganine molecular structure lightbox
CAS RN: 352518-80-0

N-nervonoyl-D-erythro-sphinganine

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS352518-80-0
  • Purity/Analytical Methods: >99.0%
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352518-80-0 / (Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetracos-15-enamide

Standard CAS: 352518-80-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
352518-80-0
Multi CAS
Yes
Molecular Formula
C42H83NO3
Molecular Weight
650.100000
Exact Mass
649.637296
InChI
InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,40-41,44-45H,3-16,19-39H2,1-2H3,(H,43,46)/b18-17-/t40-,41+/m0/s1
InChIKey
YUULKFVZRXQHPM-ATHUGRIKSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.93
Rotatable bonds
38
H-bond acceptors
3
H-bond donors
3
Molar refractivity
202.49
TPSA
69.56

LogP / Solubility

WLOGP
12.68
MLOGP
11.22
XLogP3
16.8
Consensus LogP
13.57
Log S (ESOL)
-9.35
Class (ESOL)
Insoluble
Log S (Ali)
-14.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.97
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)
2.32

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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