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CAS 34094-21-8 (3-bromopropyl)cyclohexane molecular structure lightbox
CAS RN: 34094-21-8

(3-bromopropyl)cyclohexane

  • Product code: SSC-140318
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34094-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

34094-21-8 / 3-bromopropylcyclohexane

Standard CAS: 34094-21-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34094-21-8
Multi CAS
Yes
Molecular Formula
C9H17BR
Molecular Weight
205.130000
Exact Mass
204.051360
InChI
InChI=1S/C9H17Br/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
SAJKBMWWUCUTBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
49.6
TPSA
0.0000

LogP / Solubility

WLOGP
3.74
MLOGP
3.29
XLogP3
4.4
Consensus LogP
3.81
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31

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
1.5

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