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CAS 1014-93-3 Benzyl 5-Bromoamyl Ether molecular structure lightbox
CAS RN: 1014-93-3

Benzyl 5-Bromoamyl Ether

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 5g In stock Inquiry
Batchno.20251016 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-002245
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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 1014-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1014-93-3 / 5-bromopentoxymethylbenzene

Benzyl 5-Bromoamyl Ether | RefChem:566700 | 678-190-5

Standard CAS: 1014-93-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1014-93-3
Multi CAS
Yes
Molecular Formula
C12H17BrO
Molecular Weight
257.170000
Exact Mass
256.046280
SMILES
C1=CC=C(C=C1)COCCCCCBr
InChI
InChI=1S/C12H17BrO/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey
HGUZJKJSYSSVLK-UHFFFAOYSA-N
Synonyms
Benzyl 5-Bromoamyl Ether RefChem:566700 678-190-5 (((5-Bromopentyl)oxy)methyl)benzene Benzyl 5-Bromopentyl Ether

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
63.74
TPSA
9.23

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.5
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-1.61

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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