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CAS 23062-51-3 Methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate molecular structure lightbox
CAS RN: 23062-51-3

Methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100mg In stock Shanghai Inquiry
Batchno.20260122 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260614 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260420 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250824 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-112096
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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, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 23062-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

23062-51-3 / methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate

Standard CAS: 23062-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23062-51-3
Multi CAS
No
Molecular Formula
C10H15BrO2
Molecular Weight
247.130000
Exact Mass
246.025540
SMILES
COC(=O)C12CCC(CC1)(CC2)Br
InChI
InChI=1S/C10H15BrO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7H2,1H3
InChIKey
QPKJFWIGJBWLTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.81
TPSA
26.3

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.2
Consensus LogP
2.4
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.35

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
3.5

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