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CAS 1247885-41-1 Benzonitrile, 5-aMino-2,3-difluoro- molecular structure lightbox
CAS RN: 1247885-41-1

Benzonitrile, 5-aMino-2,3-difluoro-

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai Inquiry
Batchno.20250109 1g In stock Shanghai Inquiry
Batchno.20250225 250mg In stock Shanghai Inquiry
Batchno.20260305 5g In stock Shanghai Inquiry
  • Product code: SSC-029018
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1247885-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1247885-41-1 / 5-amino-2,3-difluorobenzonitrile

Standard CAS: 1247885-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247885-41-1
Multi CAS
No
Molecular Formula
C7H4F2N2
Molecular Weight
154.120000
Exact Mass
154.034254
SMILES
C1=C(C=C(C(=C1C#N)F)F)N
InChI
InChI=1S/C7H4F2N2/c8-6-2-5(11)1-4(3-10)7(6)9/h1-2H,11H2
InChIKey
LXNMJONOHNFFBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.49
TPSA
49.81

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-2.65

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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