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CAS 5063-03-6 5-ACETYL-2-NORBORNENE molecular structure lightbox
CAS RN: 5063-03-6

5-ACETYL-2-NORBORNENE

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 1g In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100g In stock Shanghai Inquiry
Batchno.20260417 10g In stock Shanghai Inquiry
Batchno.20250604 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250207 25g In stock Shanghai Inquiry
Batchno.20260320 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS5063-03-6
  • Purity/Analytical Methods: >99.0%
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5063-03-6 / 1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

Standard CAS: 5063-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5063-03-6
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey
NIMLCWCLVJRPFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.53
TPSA
17.07

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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