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CAS 1632285-92-7 1-(2-AMino-4,6-difluorophenyl)ethanone molecular structure lightbox
CAS RN: 1632285-92-7

1-(2-AMino-4,6-difluorophenyl)ethanone

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 250mg In stock Inquiry
Batchno.20260121 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260304 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-070893
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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: 1g
  • 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 1632285-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1632285-92-7 / 1-(2-amino-4,6-difluorophenyl)ethanone

Standard CAS: 1632285-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1632285-92-7
Multi CAS
No
Molecular Formula
C8H7F2NO
Molecular Weight
171.140000
Exact Mass
171.049570
SMILES
CC(=O)C1=C(C=C(C=C1F)F)N
InChI
InChI=1S/C8H7F2NO/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,11H2,1H3
InChIKey
CJKCNBKIGYNVKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.77
TPSA
43.09

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.52

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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