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CAS 149489-14-5 2,4-DIFLUORO-3-FORMYLBENZONITRILE molecular structure lightbox
CAS RN: 149489-14-5

2,4-DIFLUORO-3-FORMYLBENZONITRILE

  • Product code: SSC-059507
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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, 5g, 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 149489-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry

149489-14-5 / 2,4-difluoro-3-formylbenzonitrile

Standard CAS: 149489-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149489-14-5
Multi CAS
No
Molecular Formula
C8H3F2NO
Molecular Weight
167.110000
Exact Mass
167.018270
SMILES
C1=CC(=C(C(=C1C#N)F)C=O)F
InChI
InChI=1S/C8H3F2NO/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2,4H
InChIKey
SONFDGCKTXJMSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.46
TPSA
40.86

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.47
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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