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CAS 191354-88-8 SUCCINIMIDYL NERVONATE molecular structure lightbox
CAS RN: 191354-88-8

SUCCINIMIDYL NERVONATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS191354-88-8
  • Purity/Analytical Methods: >99.0%
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191354-88-8 / (2,5-dioxopyrrolidin-1-yl) (Z)-tetracos-15-enoate

Standard CAS: 191354-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191354-88-8
Multi CAS
No
Molecular Formula
C28H49NO4
Molecular Weight
463.700000
Exact Mass
463.366159
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C28H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-29-26(30)24-25-27(29)31/h9-10H,2-8,11-25H2,1H3/b10-9-
InChIKey
LMDKSTRSSZZWDK-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.82
Rotatable bonds
22
H-bond acceptors
4
Molar refractivity
134.33
TPSA
63.68

LogP / Solubility

WLOGP
7.97
MLOGP
7.05
XLogP3
10
Consensus LogP
8.34
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
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)
0.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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