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CAS 6621-59-6 6-BROMOHEXANENITRILE molecular structure lightbox
CAS RN: 6621-59-6

6-BROMOHEXANENITRILE

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100g In stock Shanghai Inquiry
Batchno.20250226 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250803 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20250602 25g In stock Shanghai Inquiry
Batchno.20250714 500g In stock Shanghai Inquiry
Batchno.20251009 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-175843
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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: 5g
  • 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 6621-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

6621-59-6 / 6-bromohexanenitrile

Standard CAS: 6621-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6621-59-6
Multi CAS
Yes
Molecular Formula
BC6H10Rn
Molecular Weight
176.050000
Exact Mass
174.999660
InChI
InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey
PHOSWLARCIBBJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
37.88
TPSA
23.79

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.04

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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