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CAS 1229624-12-7 3-(2-bromoethyl)tetrahydrofuran(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1229624-12-7

3-(2-bromoethyl)tetrahydrofuran(SALTDATA: FREE)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-026660
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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: 0.1g
  • 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 1229624-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1229624-12-7 / 3-(2-bromoethyl)oxolane

Standard CAS: 1229624-12-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1229624-12-7
Multi CAS
No
Molecular Formula
C6H11BrO
Molecular Weight
179.050000
Exact Mass
177.999330
SMILES
C1COCC1CCBr
InChI
InChI=1S/C6H11BrO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
InChIKey
QUNGVZNMYWXZDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
37.34
TPSA
9.23

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.53

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
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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