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CAS 1041593-26-3 2-(2-Naphthyloxy)benzonitrile molecular structure lightbox
CAS RN: 1041593-26-3

2-(2-Naphthyloxy)benzonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-005925
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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, 5g, 0.1g, 0.25g
  • 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 1041593-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry

1041593-26-3 / 2-naphthalen-2-yloxybenzonitrile

2-(2-Naphthyloxy)benzonitrile | 2-(Naphthalen-2-yloxy)benzonitrile | 2-(2-naphthalenyloxy)Benzonitrile

Standard CAS: 1041593-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1041593-26-3
Multi CAS
No
Molecular Formula
C17H11NO
Molecular Weight
245.270000
Exact Mass
245.084064
SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=CC=CC=C3C#N
InChI
InChI=1S/C17H11NO/c18-12-15-7-3-4-8-17(15)19-16-10-9-13-5-1-2-6-14(13)11-16/h1-11H
InChIKey
QGWGXDZTSVIHTI-UHFFFAOYSA-N
Synonyms
2-(2-Naphthyloxy)benzonitrile 2-(Naphthalen-2-yloxy)benzonitrile 2-(2-naphthalenyloxy)Benzonitrile 2-naphthalen-2-yloxybenzonitrile MFCD12618618

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.18
TPSA
33.02

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.4
Consensus LogP
4.29
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

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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