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CAS 31772-05-1 1,13-Dibromotridecane molecular structure lightbox
CAS RN: 31772-05-1

1,13-Dibromotridecane

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260529 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250106 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260518 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-137193
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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: ≥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 31772-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

31772-05-1 / 1,13-dibromotridecane

Standard CAS: 31772-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31772-05-1
Multi CAS
No
Molecular Formula
C13H26BR2
Molecular Weight
342.150000
Exact Mass
342.038080
InChI
InChI=1S/C13H26Br2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H2
InChIKey
BDFXEIRNKZFBFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
Molar refractivity
78.38
TPSA
0.0000

LogP / Solubility

WLOGP
6.07
MLOGP
5.36
XLogP3
7
Consensus LogP
6.14
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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