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CAS 131665-94-6 (2-Bromoethoxy)cyclohexane molecular structure lightbox
CAS RN: 131665-94-6

(2-Bromoethoxy)cyclohexane

  • Product code: SSC-038804
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131665-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Beijing Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Shanghai Inquiry

131665-94-6 / 2-bromoethoxycyclohexane

Standard CAS: 131665-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131665-94-6
Multi CAS
No
Molecular Formula
C8H15BrO
Molecular Weight
207.110000
Exact Mass
206.030630
SMILES
C1CCC(CC1)OCCBr
InChI
InChI=1S/C8H15BrO/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
RIEJARKPVINFOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
46.62
TPSA
9.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.04

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
1.5

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