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CAS 30752-30-8 1-BROMO-4-CYCLOPENTYLOXY-BENZENE molecular structure lightbox
CAS RN: 30752-30-8

1-BROMO-4-CYCLOPENTYLOXY-BENZENE

  • Product code: SSC-135707
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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: ≥95%
  • 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 30752-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

30752-30-8 / 1-bromo-4-cyclopentyloxybenzene

Standard CAS: 30752-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30752-30-8
Multi CAS
No
Molecular Formula
C11H13BRO
Molecular Weight
241.120000
Exact Mass
240.014980
InChI
InChI=1S/C11H13BrO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKey
DWMSXAAIGFYBGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.03
TPSA
9.23

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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