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CAS 7697-09-8 1-bromobicyclo[2.2.2]octane molecular structure lightbox
CAS RN: 7697-09-8

1-bromobicyclo[2.2.2]octane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7697-09-8
  • Purity/Analytical Methods: >99.0%
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7697-09-8 / 1-bromobicyclo[2.2.2]octane

Standard CAS: 7697-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7697-09-8
Multi CAS
No
Molecular Formula
C8H13BR
Molecular Weight
189.090000
Exact Mass
188.020060
InChI
InChI=1S/C8H13Br/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2
InChIKey
GKIJLFQCRFWQCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Molar refractivity
42.85
TPSA
0.0000

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-1.67

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
3.5

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