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CAS 22921-72-8 5-Phenoxyamyl Bromide molecular structure lightbox
CAS RN: 22921-72-8

5-Phenoxyamyl Bromide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-111522
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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: 5g
  • 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 22921-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

22921-72-8 / 5-bromopentoxybenzene

Standard CAS: 22921-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22921-72-8
Multi CAS
No
Molecular Formula
C11H15BrO
Molecular Weight
243.140000
Exact Mass
242.030630
SMILES
C1=CC=C(C=C1)OCCCCCBr
InChI
InChI=1S/C11H15BrO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
WNGRHTGNGQSCTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
59.58
TPSA
9.23

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
4.1
Consensus LogP
3.64
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly 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)
-1.63

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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