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CAS 161043-38-5 1-(Bromomethyl)bicyclo[1.1.1]pentane molecular structure lightbox
CAS RN: 161043-38-5

1-(Bromomethyl)bicyclo[1.1.1]pentane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100mg In stock Shanghai Inquiry
Batchno.20250716 250mg In stock Shanghai Inquiry
Batchno.20250118 25mg In stock Shanghai Inquiry
Batchno.20260415 50mg In stock Shanghai Inquiry
  • Product code: SSC-068794
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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: 0.25g
  • 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 161043-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

161043-38-5 / 1-(bromomethyl)bicyclo[1.1.1]pentane

Standard CAS: 161043-38-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161043-38-5
Multi CAS
No
Molecular Formula
C6H9Br
Molecular Weight
161.040000
Exact Mass
159.988760
SMILES
C1C2CC1(C2)CBr
InChI
InChI=1S/C6H9Br/c7-4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKey
ASZCSSCMSDFJJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
33.57
TPSA
0.0000

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.15

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
3.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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