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CAS 97582-88-2 3-(DIFLUOROMETHOXY)BENZONITRILE molecular structure lightbox
CAS RN: 97582-88-2

3-(DIFLUOROMETHOXY)BENZONITRILE

Product Availability

Choose a grade to view its available package options.

11 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250126 1g In stock Inquiry
Batchno.20251031 25g In stock Inquiry
Batchno.20250512 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260511 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251028 25g Out of stock Inquiry
Batchno.20260407 5g In stock Shenzhen, Tianjin Inquiry
Batchno.20260603 5g / 25g / 250g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 100g In stock Shenzhen Inquiry
Batchno.20250207 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250201 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250217 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-212325
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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 97582-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

97582-88-2 / 3-(difluoromethoxy)benzonitrile

Standard CAS: 97582-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97582-88-2
Multi CAS
No
Molecular Formula
C8F2H5NO
Molecular Weight
169.130000
Exact Mass
169.033920
InChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H
InChIKey
JCBOPIBHZFBHQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.79
TPSA
33.02

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2.22

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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