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CAS 5961-55-7 4-METHOXY-1-NAPHTHONITRILE molecular structure lightbox
CAS RN: 5961-55-7

4-METHOXY-1-NAPHTHONITRILE

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 100mg In stock Inquiry
Batchno.20250826 1g In stock Inquiry
Batchno.20250325 250mg In stock Inquiry
Batchno.20260416 25g In stock Inquiry
Batchno.20250223 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250221 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250824 25g In stock Shanghai Inquiry
Batchno.20260511 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-168119
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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: ＞97%
  • 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 5961-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

5961-55-7 / 4-methoxynaphthalene-1-carbonitrile

Standard CAS: 5961-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5961-55-7
Multi CAS
Yes
Molecular Formula
C12H9NO
Molecular Weight
183.210000
Exact Mass
183.068414
InChI
InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKey
FRCZUGOIGNQOID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.22
TPSA
33.02

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
3.3
Consensus LogP
2.8
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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