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CAS 37950-87-1 4-Fluoro-N-Methyl-N-phenylbenzaMide molecular structure lightbox
CAS RN: 37950-87-1

4-Fluoro-N-Methyl-N-phenylbenzaMide

  • Product code: SSC-145401
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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 37950-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

37950-87-1 / 4-fluoro-N-methyl-N-phenylbenzamide

Standard CAS: 37950-87-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37950-87-1
Multi CAS
Yes
Molecular Formula
C14FH12NO
Molecular Weight
229.250000
Exact Mass
229.090292
InChI
InChI=1S/C14H12FNO/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
InChIKey
GHQGUBZUUFNBBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.58
TPSA
20.31

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
2.5
Consensus LogP
2.78
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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