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CAS 140377-97-5 1-Naphthalenecarbonitrile, 6-broMo-3,4-dihydro- molecular structure lightbox
CAS RN: 140377-97-5

1-Naphthalenecarbonitrile, 6-broMo-3,4-dihydro-

  • Product code: SSC-050978
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 140377-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

140377-97-5 / 6-bromo-3,4-dihydronaphthalene-1-carbonitrile

Standard CAS: 140377-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140377-97-5
Multi CAS
No
Molecular Formula
C11H8BrN
Molecular Weight
234.090000
Exact Mass
232.984010
SMILES
C1CC2=C(C=CC(=C2)Br)C(=C1)C#N
InChI
InChI=1S/C11H8BrN/c12-10-4-5-11-8(6-10)2-1-3-9(11)7-13/h3-6H,1-2H2
InChIKey
ZLWXBVISDHXFMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
56.05
TPSA
23.79

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-1.8

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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