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CAS 2167471-91-0 Benzamide, 4-cyclopropyl-2-fluoro- molecular structure lightbox
CAS RN: 2167471-91-0

Benzamide, 4-cyclopropyl-2-fluoro-

  • Product code: SSC-104085
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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: ≥95%
  • 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 2167471-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2167471-91-0 / 4-cyclopropyl-2-fluorobenzamide

Standard CAS: 2167471-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2167471-91-0
Multi CAS
No
Molecular Formula
C10H10FNO
Molecular Weight
179.190000
Exact Mass
179.074642
SMILES
C1CC1C2=CC(=C(C=C2)C(=O)N)F
InChI
InChI=1S/C10H10FNO/c11-9-5-7(6-1-2-6)3-4-8(9)10(12)13/h3-6H,1-2H2,(H2,12,13)
InChIKey
DGIBGBWRVVUVCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.89
TPSA
43.09

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.53

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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