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CAS 1234203-45-2 5-Norbornene-2-acetic Acid Succinimidyl Ester molecular structure lightbox
CAS RN: 1234203-45-2

5-Norbornene-2-acetic Acid Succinimidyl Ester

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Batchno.20250525 25mg In stock Shanghai Inquiry
  • Product code: LINN919305
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1234203-45-2 / (2,5-dioxopyrrolidin-1-yl) 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

Standard CAS: 1234203-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234203-45-2
Multi CAS
No
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
SMILES
C1CC(=O)N(C1=O)OC(=O)CC2CC3CC2C=C3
InChI
InChI=1S/C13H15NO4/c15-11-3-4-12(16)14(11)18-13(17)7-10-6-8-1-2-9(10)5-8/h1-2,8-10H,3-7H2
InChIKey
AOGNOQQTUYLDKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
60.64
TPSA
63.68

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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