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CAS 91065-16-6 6-Bromonaphthalene-1-carbonitrile molecular structure lightbox
CAS RN: 91065-16-6

6-Bromonaphthalene-1-carbonitrile

  • Product code: SSC-203899
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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 91065-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

91065-16-6 / 6-bromonaphthalene-1-carbonitrile

Standard CAS: 91065-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91065-16-6
Multi CAS
No
Molecular Formula
BC11H6Rn
Molecular Weight
232.080000
Exact Mass
230.968360
InChI
InChI=1S/C11H6BrN/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h1-6H
InChIKey
HDMVMVPNLKOXTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
56.36
TPSA
23.79

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.6
Consensus LogP
3.38
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

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

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