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CAS 2404-35-5 Bromocycloheptane molecular structure lightbox
CAS RN: 2404-35-5

Bromocycloheptane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100g In stock Shanghai Inquiry
Batchno.20250503 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260226 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250726 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-117120
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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: 1g
  • 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 2404-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

2404-35-5 / bromocycloheptane

Standard CAS: 2404-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2404-35-5
Multi CAS
No
Molecular Formula
C7H13Br
Molecular Weight
177.080000
Exact Mass
176.020060
SMILES
C1CCCC(CC1)Br
InChI
InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKey
LOXORFRCPXUORP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Molar refractivity
40.42
TPSA
0.0000

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.7
Consensus LogP
3.18
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-1.6

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
1.5

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